[ CAS No. 6313-33-3 ] {[proInfo.proName]}

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Quality Control of [ 6313-33-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 6313-33-3 ]

SDS Specification

Alternatived Products of [ 6313-33-3 ]

Product Details of [ 6313-33-3 ]

CAS No. :	6313-33-3	MDL No. :	MFCD00012865
Formula :	CH₅ClN₂	Boiling Point :	-
Linear Structure Formula :	[HC(NH₂)₂]Cl	InChI Key :	NMVVJCLUYUWBSZ-UHFFFAOYSA-N
M.W :	80.52	Pubchem ID :	10313058
Synonyms :

Calculated chemistry of [ 6313-33-3 ] Expand+

Physicochemical Properties

Num. heavy atoms :	4
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	2.0
Molar Refractivity :	20.18
TPSA :	49.87 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.76 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	0.04
Log Po/w (WLOGP) :	0.35
Log Po/w (MLOGP) :	-0.49
Log Po/w (SILICOS-IT) :	-0.34
Consensus Log Po/w :	-0.09

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.36
Solubility :	34.8 mg/ml ; 0.432 mol/l
Class :	Very soluble
Log S (Ali) :	-0.64
Solubility :	18.4 mg/ml ; 0.229 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.62
Solubility :	336.0 mg/ml ; 4.18 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.94

Safety of [ 6313-33-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302+H312+H332-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 6313-33-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 6313-33-3 ]
Downstream synthetic route of [ 6313-33-3 ]

[ 6313-33-3 ] Synthesis Path-Upstream 1~4

1
[ 54413-93-3 ]
[ 6313-33-3 ]
[ 19181-64-7 ]

Yield	Reaction Conditions	Operation in experiment
89%	With 8-quinolinol; sodium hydroxide; copper dichloride In water at 20℃; for 0.333333 h; Sealed tube; Microwave irradiation	General procedure: In a 10 mL glass tube 2-iodobenzoic acid (1.0 mmol), acetamidine hydrochloride (1.2 mmol), CuCl₂ (0.1 mmol), L2 (0.1 mmol), and NaOH (4.0 equiv.) and 3.0 mL water were placed. The vessel was then sealed with a septum and placed into the microwave cavity. Initial microwave irradiation of 120 W by using a CEM Discover microwave synthesizer was used at the room temperature for 20 min. The reaction mixture was stirred continuously during the reaction. After completion of the reaction, the solvent was removed in vacuo. The residue was purified by silica gel column chromatography to afford the corresponding product. All the products were confirmed by NMR and MS spectroscopic analysis.

Reference： [1] Synthetic Communications, 2018, vol. 48, # 24, p. 3089 - 3098

2
[ 6313-33-3 ]
[ 22921-68-2 ]
[ 19181-64-7 ]

Yield	Reaction Conditions	Operation in experiment
55%	With 8-quinolinol; sodium hydroxide; copper dichloride In water at 20℃; for 0.333333 h; Sealed tube; Microwave irradiation	General procedure: In a 10 mL glass tube 2-iodobenzoic acid (1.0 mmol), acetamidine hydrochloride (1.2 mmol), CuCl₂ (0.1 mmol), L2 (0.1 mmol), and NaOH (4.0 equiv.) and 3.0 mL water were placed. The vessel was then sealed with a septum and placed into the microwave cavity. Initial microwave irradiation of 120 W by using a CEM Discover microwave synthesizer was used at the room temperature for 20 min. The reaction mixture was stirred continuously during the reaction. After completion of the reaction, the solvent was removed in vacuo. The residue was purified by silica gel column chromatography to afford the corresponding product. All the products were confirmed by NMR and MS spectroscopic analysis.

Reference： [1] Synthetic Communications, 2018, vol. 48, # 24, p. 3089 - 3098

3
[ 6313-33-3 ]
[ 619-17-0 ]
[ 20872-93-9 ]

Yield	Reaction Conditions	Operation in experiment
44%	at 200℃; for 0.5 h;	Example 8Synthesis of 7-aminoquinazolin-4-one 4-Nitroanthranilic acid (10.0 g, 54.9 mmol) and formamidine hydrochloride (6.63 g, 82.4 mmol) were ground together in a mortar and pestle to produce a fine, intimate mixture. The mixture was placed in a 250 mL round-bottom flask, and spread evenly over the surface. The flask was placed in an oilbath at 200° C. The solid underwent a color change, and a distillate was seen on the side of flask, but did not really melt. After 30 min the flask was removed from the heating bath. 0.3M sodium hydroxide solution (150 mL) was added to the cooled flask, the black solid mass was broken up with a spatula, and stirred for 1 h. The solid was filtered off and washed with water. The filtrate was discarded. The black solid was suspended in dichloromethane/methanol (10:1) and filtered through a plug of silica, eluting with the same solvent until no more product came off. The material was one spot by TLC, plus black baseline material, but was poorly soluble, so a large volume of solvent was needed.The filtrate was evaporated to dryness and the solid residue triturated with a little methanol and filtered to give 7-nitroquinazoline-4-one (4.65 g, 44percent).

Reference： [1] Journal of Medicinal Chemistry, 1999, vol. 42, # 19, p. 3860 - 3873
[2] Patent: US2008/161297, 2008, A1, . Location in patent: Page/Page column 46
[3] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 11, p. 3235 - 3239

4
[ 64273-40-1 ]
[ 6313-33-3 ]
[ 3749-47-1 ]

Yield	Reaction Conditions	Operation in experiment
55.8%	With sodium methylate In methanol at 20℃; for 24 h;	Following the preparation protocol of Section 2.8, the reaction mixture offormimidamide hydrochloride 4b (739 mg, 7.1 mmol), sodium methoxide (1M inmethanol, 7.1 mL, 7.1 mmol) and compound 5 (1.34 g, 7.1 mmol) in methanol (50mL) was stirred at room temperature for 1 d to give compound 6b as a light yellowsolid (558 mg, 55.8percent); mp 154-156 °C; 1H NMR (400 MHz, DMSO-d6) δ (ppm) 8.89(s, 1H), 8.53 (s, 1H).

Reference： [1] Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 8, p. 2186 - 2197

[ 6313-33-3 ] Synthesis Path-Downstream 1~10

1
[ 6313-33-3 ]
[ 619-17-0 ]
[ 20872-93-9 ]

Yield	Reaction Conditions	Operation in experiment
44%	at 200℃; for 0.5h;	Example 8Synthesis of 7-aminoquinazolin-4-one 4-Nitroanthranilic acid (10.0 g, 54.9 mmol) and formamidine hydrochloride (6.63 g, 82.4 mmol) were ground together in a mortar and pestle to produce a fine, intimate mixture. The mixture was placed in a 250 mL round-bottom flask, and spread evenly over the surface. The flask was placed in an oilbath at 200 C. The solid underwent a color change, and a distillate was seen on the side of flask, but did not really melt. After 30 min the flask was removed from the heating bath. 0.3M sodium hydroxide solution (150 mL) was added to the cooled flask, the black solid mass was broken up with a spatula, and stirred for 1 h. The solid was filtered off and washed with water. The filtrate was discarded. The black solid was suspended in dichloromethane/methanol (10:1) and filtered through a plug of silica, eluting with the same solvent until no more product came off. The material was one spot by TLC, plus black baseline material, but was poorly soluble, so a large volume of solvent was needed.The filtrate was evaporated to dryness and the solid residue triturated with a little methanol and filtered to give 7-nitroquinazoline-4-one (4.65 g, 44%).

Reference： [1]Journal of Medicinal Chemistry,1999,vol. 42,p. 3860 - 3873
[2]Patent: US2008/161297,2008,A1 .Location in patent: Page/Page column 46
[3]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 3235 - 3239

2
[ 6313-33-3 ]
[ 594-42-3 ]
[ 38362-15-1 ]

Reference： [1]Patent: WO2006/2981,2006,A1 .Location in patent: Page/Page column 107

3
[ 52133-67-2 ]
[ 6313-33-3 ]
[ 7400-06-8 ]

Yield	Reaction Conditions	Operation in experiment
1.6 g (66%)	With sodium ethanolate; sodium; In ethanol; ethyl acetate;	EXAMPLE 2 SYNTHESIS OF 4-CHLORO-5,7-DIHYDRO-PYRROLO[2,3-D]PYRMIDIN-6-ONE To a solution of 45.2 mmol of sodium ethoxide (made in situ from sodium and absolute ethanol) in 40 mL of absolute ethanol was added formamidine hydrochloride (1.74 g, 21.5 mmol) and <strong>[52133-67-2]2-cyano-4,4-diethoxy-butyric acid ethyl ester</strong> (2.47 g, 11 mmol, literature reference: Davoll, J., J. Chem. Soc. 131-138 (1960)). The mixture was refluxed for 6 hours, cooled to room temperature and filtered. The solid was washed with hot acetonitrile. The filtrate was neutralized with acetic acid to pH 6.5 and then evaporated to half of the volume. Ethyl acetate (50 mL) was added to the resultant filtrate. The precipitate was filtered, washed with EtOAc to give 1.6 g (66percent) of 6-amino-5-(2,2-diethoxy-ethyl)-3H-pyrimidin-4-one as a white solid which was used without further purification. 1H NMR (300 MHz, DMSO-d6)delta 11.46 (s, br, 1H, NH), 7.68 (s, 1H), 6.07 (s, br, 2H, NH2), 4.54 (t, J=6.0 Hz, 1H, CH(OCH2CH3)2), 3.53-5.62 (m, 2H, CH(OCH2CH3)2), 3.31-3.49 (m, 2H, CH(OCH2CH3)2), 2.50 (m, 2H, CH2), and 1.05 (t, J=6.93 Hz, 6H, CH(OCH2CH3)2).

Reference： [1]Patent: US2002/183319,2002,A1

4
[ 609-14-3 ]
[ 6313-33-3 ]
[ 34916-78-4 ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid; sodium methylate; In methanol; diethyl ether; ethanol; water;	(1) Sodium methoxide (17.5g, 28% in MeOH, 91mmol) was dropwise added to ethanol (55ml) solution of 2-methylacetoacetic acid ethyl ester (4.33g, 30mmol) and formamidine hydrochloride(3.62g, 45mmol), followed by refluxing under heating for 15 hours. After cooling diluted sulfuric acid (concentrated sulfuric acid 4.53g + water 4g) was added, followed by refluxing under heating for 1 hour. After cooling insolubles were filtered off and the filtrate was concentrated. Water was added to the residue, followed by neutralization to pH 7 with aqueous sodium hydrogen carbonate. The mixture was extracted 3 times with chloroform, and the extract was dried and concentrated by evaporation of the solvent. Diethyl ether was added to the residue, and the crystals were collected by filtration to obtain 4-hydroxy-5,6-dimethylpyrimidine (1.82g). m.p.120-121?C 1H-NMR(DMSO-d6) delta 1.91(3H, s), 2.20(3H, s), 7.92(1H, s), 12.20-12.40(1H, br) IR(Nujol) 1652, 1636, 1609, 1378, 1240, 1200, 1142, 861 cm-1

Reference： [1]Patent: EP1333029,2003,A1

5
[ 6313-33-3 ]
[ 3044-06-2 ]
[ 157981-55-0 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium hydroxide; In ethanol; water; at 20℃; for 48h;	Reference Example 196 Ethyl 4-hydroxy-6-methylpyrimidine-5-carboxylate A mixture of diethyl malonate (4.8 mL), triethyl orthoacetate (17 mL), acetic anhydride (0.11 mL) and zinc chloride (1.2 g) was stirred at 140C. To the mixture was added acetic anhydride (0.11 mL) each after 30, 90 and 120 minutes, and then stirred at the same temperature overnight. The reaction mixture was cooled to room temperature, and the insoluble material was removed by filtration. The filtrate was concentrated under reduced pressure, and the residue was purified by column chromatography on silica gel (eluent: n-hexane/ethyl acetate = 4/1 - 7/3) to give <strong>[3044-06-2]diethyl 2-(1-ethoxyethylidene)malonate</strong> (5.02 g). To a solution of <strong>[3044-06-2]diethyl 2-(1-ethoxyethylidene)malonate</strong> (4.13 g) in ethanol (15 mL) were added formamidine hydrochloride (1.73 g) and a solution of potassium hydroxide (2.21 g) in water (7.5 mL), and the mixture was stirred at room temperature for 2 days. The reaction mixture was neutralized by adding acetic acid. To the mixture was added ethyl acetate (30 mL), and the mixture was stirred at room temperature for 30 minutes. The insoluble material was removed by filtration, and the filtrate was concentrated under reduced pressure. The residue was purified by column chromatography on silica gel (eluent: ethyl acetate - ethyl acetate/methanol = 9/1) to give the title compound (1.5 g).

Reference： [1]Patent: EP2143724,2010,A1 .Location in patent: Page/Page column 45

6
[ 5117-87-3 ]
[ 6313-33-3 ]
[ 51786-82-4 ]

Yield	Reaction Conditions	Operation in experiment
		5-methylfuro[2,3-d]pyrimidin-4-amine (5) Sodium metal (2.3 g; 0.1M) was added cautiously to stirred anhydrous Ethanol (5.8 mL, 0.1M) over 10 min at room temperature. After stirring the resulting slurry for additional 5 min, 4 (8.05 gm, 0.1M) was added. The slurry was stirred at room temperature for 30 min after which solution of 3 (13 g crude; ?0.1M) in anhydrous ethanol (200 mL) was added. The mixture was heated at reflux for 8 h. After cooling the reaction mixture to room temperature, silica gel (25 g) was added and solvents evaporated under reduced pressure to obtain a plug. Purification was done by flash chromatography using 1% methanol in chloroform. The fractions corresponding to the product spot were pooled and evaporated under reduced pressure to obtain 5 (5.3 g, 35%) as lustrous pink crystals. TLC Rf0.29 (CHCl3:MeOH, 10:1); mp 240.2-242.5 C.; 1H-NMR (300 MHz) (DMSO-d6): delta 2.28 (s, 3H, CH3); 7.018 (br, 2H, NH2, exch), 7.528 (s, 1H, C6-CH), 8.12 (s, 1H, C2-CH) Anal. Calcd for C7H7N3O: C, 56.37; H, 4.73; N, 28.17; Found: C, 56.48; H, 4.74; N, 28.17.

Reference： [1]Patent: US2010/10016,2010,A1 .Location in patent: Page/Page column 14-15
[2]Journal of Medicinal Chemistry,2016,vol. 59,p. 5752 - 5765

7
[ 6313-33-3 ]
[ 609-15-4 ]
[ 7752-72-9 ]

Reference： [1]Journal of Medicinal Chemistry,2014,vol. 57,p. 10404 - 10423

8
[ 6313-33-3 ]
[ 58483-95-7 ]
[ 171178-47-5 ]

Yield	Reaction Conditions	Operation in experiment
88%	With sodium acetate; In 2-methoxy-ethanol; at 120℃; for 6h;	A mixture of compound 5-amino-2-chloropyridine-4-carboxylic acid(1000 g, 5.8 mol) was dissolved in 5000 mlEthylene glycol monomethyl ether, AddedFormamidine hydrochloride(1867 g, 23.2 mol), sodium acetate (2360 g, 17.4 mol). The reaction was heated to 120 ° C for 6 hours. After the reaction was complete, the reaction was cooled to room temperature, poured into 4000 ml of water and extracted twice with ethyl acetate. The organic phase was combined, dried and concentrated to afford the crude product which was filtered to give 6-chloropyridine And [3,4-d] pyrimidin-4 (3H) ketone (924 g, 5-1 mol)

Reference： [1]Patent: CN104130256,2016,B .Location in patent: Paragraph 0027; 0028; 0030

9
[ 19230-50-3 ]
[ 6313-33-3 ]
[ 6943-17-5 ]

Yield	Reaction Conditions	Operation in experiment
93%	With 8-quinolinol; sodium hydroxide; copper dichloride; In water; at 20℃; for 0.333333h;Sealed tube; Microwave irradiation;	General procedure: In a 10 mL glass tube 2-iodobenzoic acid (1.0 mmol), acetamidine hydrochloride (1.2 mmol), CuCl2 (0.1 mmol), L2 (0.1 mmol), and NaOH (4.0 equiv.) and 3.0 mL water were placed. The vessel was then sealed with a septum and placed into the microwave cavity. Initial microwave irradiation of 120 W by using a CEM Discover microwave synthesizer was used at the room temperature for 20 min. The reaction mixture was stirred continuously during the reaction. After completion of the reaction, the solvent was removed in vacuo. The residue was purified by silica gel column chromatography to afford the corresponding product. All the products were confirmed by NMR and MS spectroscopic analysis.

Reference： [1]Synthetic Communications,2018,vol. 48,p. 3089 - 3098

10
[ 54413-93-3 ]
[ 6313-33-3 ]
[ 19181-64-7 ]

Yield	Reaction Conditions	Operation in experiment
89%	With 8-quinolinol; sodium hydroxide; copper dichloride; In water; at 20℃; for 0.333333h;Sealed tube; Microwave irradiation;	General procedure: In a 10 mL glass tube 2-iodobenzoic acid (1.0 mmol), acetamidine hydrochloride (1.2 mmol), CuCl2 (0.1 mmol), L2 (0.1 mmol), and NaOH (4.0 equiv.) and 3.0 mL water were placed. The vessel was then sealed with a septum and placed into the microwave cavity. Initial microwave irradiation of 120 W by using a CEM Discover microwave synthesizer was used at the room temperature for 20 min. The reaction mixture was stirred continuously during the reaction. After completion of the reaction, the solvent was removed in vacuo. The residue was purified by silica gel column chromatography to afford the corresponding product. All the products were confirmed by NMR and MS spectroscopic analysis.

Reference： [1]Synthetic Communications,2018,vol. 48,p. 3089 - 3098

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Technical Information

? Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions ? Chan-Lam Coupling Reaction ? Heat of Combustion ? Hydride Reductions ? Leuckart-Wallach Reaction ? Mannich Reaction ? Petasis Reaction ? Preparation of Amines ? Reactions of Amines ? Specialized Acylation Reagents-Vilsmeier Reagent ? Ugi Reaction

Historical Records

Pharmaceutical Intermediates of
[ 6313-33-3 ]

Macitentan Intermediates

[ 706811-25-8 ]

5-(4-Bromophenyl)-6-hydroxypyrimidin-4(1H)-one

[ 146533-41-7 ]

5-(4-Bromophenyl)-4,6-dichloropyrimidine

[ 1878-68-8 ]

4-Bromophenylacetic acid

[ 41841-16-1 ]

Methyl 2-(4-bromophenyl)acetate

[ 147962-41-2 ]

N-Propylsulfamide

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P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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[ CAS No. 6313-33-3 ] {[proInfo.proName]}

Quality Control of [ 6313-33-3 ]

Related Doc. of [ 6313-33-3 ]

Product Details of [ 6313-33-3 ]

Calculated chemistry of [ 6313-33-3 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 6313-33-3 ]

Application In Synthesis of [ 6313-33-3 ]

[ 6313-33-3 ] Synthesis Path-Upstream 1~4

[ 6313-33-3 ] Synthesis Path-Downstream 1~10

Technical Information

Pharmaceutical Intermediates of [ 6313-33-3 ]

Macitentan Intermediates

Related Functional Groups of [ 6313-33-3 ]

Aliphatic Chain Hydrocarbons

Amines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Pharmaceutical Intermediates of
[ 6313-33-3 ]

Related Functional Groups of
[ 6313-33-3 ]