[ CAS No. 271-34-1 ] {[proInfo.proName]}

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Quality Control of [ 271-34-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 271-34-1 ]

SDS Specification

Alternatived Products of [ 271-34-1 ]

Product Details of [ 271-34-1 ]

CAS No. :	271-34-1	MDL No. :	MFCD00955936
Formula :	C₇H₆N₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SRSKXJVMVSSSHB-UHFFFAOYSA-N
M.W :	118.14	Pubchem ID :	9220
Synonyms :

Calculated chemistry of [ 271-34-1 ] Expand+

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	36.09
TPSA :	28.68 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.32 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.11
Log Po/w (XLOGP3) :	0.98
Log Po/w (WLOGP) :	1.56
Log Po/w (MLOGP) :	0.31
Log Po/w (SILICOS-IT) :	2.15
Consensus Log Po/w :	1.22

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.93
Solubility :	1.39 mg/ml ; 0.0118 mol/l
Class :	Very soluble
Log S (Ali) :	-1.17
Solubility :	7.98 mg/ml ; 0.0675 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.86
Solubility :	0.163 mg/ml ; 0.00138 mol/l
Class :	Soluble

Medicinal Chemistry

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

Safety of [ 271-34-1 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P264-P280-P271-P302+P352-P312-P304+P340-P305+P351+P338-P362+P364-P403+P233-P501	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 271-34-1 ]

* 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 [ 271-34-1 ]
Downstream synthetic route of [ 271-34-1 ]

[ 271-34-1 ] Synthesis Path-Upstream 1~1

1
[ 271-34-1 ]
[ 98-09-9 ]
[ 109113-39-5 ]

Yield	Reaction Conditions	Operation in experiment
69.4%	Stage #1: With sodium hydride In mineral oil at 0℃; for 0.5 h; Stage #2: at 0 - 20℃; for 1 h;	To a solution of lH-pyrrolo[3,2-c]pyridine (LXXIV) (1 g, 8.47 mmol, 1.0 eq) in THF (10 mL) was added NaH (60percent in mineral oil) (0.24 g, 10.2 mmol, 1.2 eq) at 0°C. The mixture was stirred at 0°C for 0.5 h. PhS0₂Cl (LXXV) (1.80 g, 10.2 mmol, 1.2 eq) was then added to the solution at 0°C. The reaction was warmed to room temperature and stirred for 1 h. Aqueous NaHCCb (30 mL) was added and then extracted with EtOAc (x 3). The organic phase was combined and dried over Na₂SC>4. Removal solvents under reduced pressure gave l -(phenylsulfonyl)- lH- pyrrolo[3,2-c]pyridine (LXXVI) as a yellow solid. (1.52 g, 5.88 mmol, 69.4percent yield) . NMR (CDCI₃, 400 MHz) δ ppm 6.75 (d, J=3.6Hz, 1H), 7.48 (t, J=8Hz, 2H), 7.55 - 7.61 (m, 2H), 7.89 - 7.93 (m, 3H), 8.49 (d, J=6Hz, 1H), 8.88 (s, 1H); ESIMS found for C₁₃H₁₀N₂O₂S mlz 259.1 (M+H).
69.4%	Stage #1: With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.5 h; Stage #2: at 0 - 20℃; for 1 h;	To a solution of lH-pyrrolo[3,2-c]pyridine (LXXIV) (1 g, 8.47 mmol, 1.0 eq) in THF (10 mL) was added NaH (60percent in mineral oil) (0.24 g, 10.2 mmol, 1.2 eq) at 0°C. The mixture was stirred at 0°C for 0.5 h. PhS0₂Cl (LXXV) (1.80 g, 10.2 mmol, 1.2 eq) was then added to the solution at 0°C. The reaction was warmed to room temperature and stirred for 1 h. Aqueous NaHCC (30 mL) was added and then extracted with EtOAc (x 3). The organic phase was combined and dried over Na2SC>4. Removal solvents under reduced pressure gave 1 - (phenylsulfonyl)-lH-pyrrolo[3,2-c]pyridine (LXXVI) as a yellow solid. (1.52 g, 5.88 mmol, 69.4percent yield). NMR (CDCI3, 400 MHz) δ ppm 6.75 (d, J=3.6Hz, 1H), 7.48 (t, J=8Hz, 2H), 7.55 - 7.61 (m, 2H), 7.89 - 7.93 (m, 3H), 8.49 (d, J=6Hz, 1H), 8.88 (s, 1H); ESIMS found for Ci₃HioN₂02S mlz 259.1 (M+H).
69.4%	Stage #1: With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.5 h; Stage #2: at 0 - 20℃; for 1 h;	To a solution of lH-pyrrolo[3,2-c]pyridine (XCI) (1 g, 8.47 mmol, 1.0 eq) in THF (10 mL) was added NaH (60percent in mineral oil) (0.24 g, 10.2 mmol, 1.2 eq) at 0°C. The mixture was stirred at 0°C for 0.5 h. PhS0₂Cl (XCII) (1.80 g, 10.2 mmol, 1.2 eq) was then added to the solution at 0°C. The reaction was warmed to room temperature and stirred for 1 h. Aqueous NaHCC>3 (30 mL) was added and then extracted with EtOAc (x 3). The organic phase was combined and dried over Na₂SC>₄. Removal solvents under reduced pressure gave l-(phenylsulfonyl)-lH- pyrrolo[3,2-c]pyridine (XCIII) as a yellow solid. (1.52 g, 5.88 mmol, 69.4percent yield). NMR (CDC , 400 MHz) δ ppm 6.75 (d, J=3.6Hz, 1H), 7.48 (t, J=8Hz, 2H), 7.55 - 7.61 (m, 2H), 7.89 - 7.93 (m, 3H), 8.49 (d, J=6Hz, 1H), 8.88 (s, 1H); ESIMS found for C₁3H₁0N₂O₂S mlz 259.1 (M+H).

69.4%

Stage #1: With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.5 h;

Step 1 [0675] To a solution of lH-pyrrolo[3,2-c]pyridine (LXXIV) (1 g, 8.47 mmol, 1.0 eq) in THF (10 mL) was added NaH (60percent in mineral oil) (0.24 g, 10.2 mmol, 1.2 eq) at 0°C. The mixture was stirred at 0°C for 0.5 h. PhS0₂Cl (LXXV) ( 1.80 g, 10.2 mmol, 1.2 eq) was then added to the solution at 0°C. The reaction was warmed to room temperature and stirred for 1 h. Aqueous NaHCC^ (30 mL) was added and then extracted with EtOAc (x 3). The organic phase was combined and dried over Na₂SC>4. Removal solvents under reduced pressure gave 1 - (phenylsulfonyl)-lH-pyrrolo[3,2-c]pyridine (LXXVI) as a yellow solid. (1.52 g, 5.88 mmol, 69.4percent yield). NMR (CDC1₃, 400 MHz) δ ppm 6.75 (d, J=3.6Hz, 1H), 7.48 (t, J=8Hz, 2H), 7.55 - 7.61 (m, 2H), 7.89 - 7.93 (m, 3H), 8.49 (d, J=6Hz, 1H), 8.88 (s, 1H); ESIMS found for C₁3H₁0N₂O₂S mlz 259.1 (M+H).

Reference： [1] Synthesis, 2005, # 20, p. 3581 - 3588
[2] Patent: WO2017/23987, 2017, A1, . Location in patent: Paragraph 0675; 0676
[3] Patent: WO2017/24003, 2017, A1, . Location in patent: Paragraph 0675; 0676
[4] Patent: WO2017/24010, 2017, A1, . Location in patent: Paragraph 0622; 0623
[5] Patent: WO2017/23984, 2017, A1, . Location in patent: Paragraph 0675
[6] Tetrahedron, 1993, vol. 49, # 14, p. 2885 - 2914
[7] Patent: WO2015/88045, 2015, A1, . Location in patent: Paragraph 0339; 0340
[8] Patent: US2017/8885, 2017, A1, . Location in patent: Paragraph 0741-0742

[ 271-34-1 ] Synthesis Path-Downstream 1~4

1
[ 271-34-1 ]
[ 98-09-9 ]
[ 109113-39-5 ]

Yield	Reaction Conditions	Operation in experiment
69.4%		To a solution of lH-pyrrolo[3,2-c]pyridine (LXXIV) (1 g, 8.47 mmol, 1.0 eq) in THF (10 mL) was added NaH (60% in mineral oil) (0.24 g, 10.2 mmol, 1.2 eq) at 0C. The mixture was stirred at 0C for 0.5 h. PhS02Cl (LXXV) (1.80 g, 10.2 mmol, 1.2 eq) was then added to the solution at 0C. The reaction was warmed to room temperature and stirred for 1 h. Aqueous NaHCCb (30 mL) was added and then extracted with EtOAc (x 3). The organic phase was combined and dried over Na2SC>4. Removal solvents under reduced pressure gave l -(phenylsulfonyl)- lH- pyrrolo[3,2-c]pyridine (LXXVI) as a yellow solid. (1.52 g, 5.88 mmol, 69.4% yield) . NMR (CDCI3, 400 MHz) delta ppm 6.75 (d, J=3.6Hz, 1H), 7.48 (t, J=8Hz, 2H), 7.55 - 7.61 (m, 2H), 7.89 - 7.93 (m, 3H), 8.49 (d, J=6Hz, 1H), 8.88 (s, 1H); ESIMS found for C13H10N2O2S mlz 259.1 (M+H).
69.4%		To a solution of lH-pyrrolo[3,2-c]pyridine (LXXIV) (1 g, 8.47 mmol, 1.0 eq) in THF (10 mL) was added NaH (60% in mineral oil) (0.24 g, 10.2 mmol, 1.2 eq) at 0C. The mixture was stirred at 0C for 0.5 h. PhS02Cl (LXXV) (1.80 g, 10.2 mmol, 1.2 eq) was then added to the solution at 0C. The reaction was warmed to room temperature and stirred for 1 h. Aqueous NaHCC (30 mL) was added and then extracted with EtOAc (x 3). The organic phase was combined and dried over Na2SC>4. Removal solvents under reduced pressure gave 1 - (phenylsulfonyl)-lH-pyrrolo[3,2-c]pyridine (LXXVI) as a yellow solid. (1.52 g, 5.88 mmol, 69.4% yield). NMR (CDCI3, 400 MHz) delta ppm 6.75 (d, J=3.6Hz, 1H), 7.48 (t, J=8Hz, 2H), 7.55 - 7.61 (m, 2H), 7.89 - 7.93 (m, 3H), 8.49 (d, J=6Hz, 1H), 8.88 (s, 1H); ESIMS found for Ci3HioN202S mlz 259.1 (M+H).
69.4%		To a solution of lH-pyrrolo[3,2-c]pyridine (XCI) (1 g, 8.47 mmol, 1.0 eq) in THF (10 mL) was added NaH (60% in mineral oil) (0.24 g, 10.2 mmol, 1.2 eq) at 0C. The mixture was stirred at 0C for 0.5 h. PhS02Cl (XCII) (1.80 g, 10.2 mmol, 1.2 eq) was then added to the solution at 0C. The reaction was warmed to room temperature and stirred for 1 h. Aqueous NaHCC>3 (30 mL) was added and then extracted with EtOAc (x 3). The organic phase was combined and dried over Na2SC>4. Removal solvents under reduced pressure gave l-(phenylsulfonyl)-lH- pyrrolo[3,2-c]pyridine (XCIII) as a yellow solid. (1.52 g, 5.88 mmol, 69.4% yield). NMR (CDC , 400 MHz) delta ppm 6.75 (d, J=3.6Hz, 1H), 7.48 (t, J=8Hz, 2H), 7.55 - 7.61 (m, 2H), 7.89 - 7.93 (m, 3H), 8.49 (d, J=6Hz, 1H), 8.88 (s, 1H); ESIMS found for C13H10N2O2S mlz 259.1 (M+H).

69.4%		Step 1 [0675] To a solution of lH-pyrrolo[3,2-c]pyridine (LXXIV) (1 g, 8.47 mmol, 1.0 eq) in THF (10 mL) was added NaH (60% in mineral oil) (0.24 g, 10.2 mmol, 1.2 eq) at 0C. The mixture was stirred at 0C for 0.5 h. PhS02Cl (LXXV) ( 1.80 g, 10.2 mmol, 1.2 eq) was then added to the solution at 0C. The reaction was warmed to room temperature and stirred for 1 h. Aqueous NaHCC^ (30 mL) was added and then extracted with EtOAc (x 3). The organic phase was combined and dried over Na2SC>4. Removal solvents under reduced pressure gave 1 - (phenylsulfonyl)-lH-pyrrolo[3,2-c]pyridine (LXXVI) as a yellow solid. (1.52 g, 5.88 mmol, 69.4% yield). NMR (CDC13, 400 MHz) delta ppm 6.75 (d, J=3.6Hz, 1H), 7.48 (t, J=8Hz, 2H), 7.55 - 7.61 (m, 2H), 7.89 - 7.93 (m, 3H), 8.49 (d, J=6Hz, 1H), 8.88 (s, 1H); ESIMS found for C13H10N2O2S mlz 259.1 (M+H).
		A solution of 5-azaindole 3-1 (5 g, 42.3 mmol) in THF (50 mL) was added to a suspension of NaH (60% in mineral oil, 2 g, 50.8 mmol) in THF (50 mL) at 0C over 30 minutes. The resulting reaction mixture was allowed to warm to room temperature and stirred for 30 minutes. The reaction mixture was again cooled to 0C, and benzenesulfonyl chloride (6.5 mL, 50.8 mmol) was added thereto over a period of 10 minutes, and the mixture was stirred at room temperature for 2 hours. The reaction mixture was diluted with saturated NH4C1 solution (25 mL) and ethyl acetate (50 mL) . The organic layer was separated, and the aqueous layer was extracted with ethyl acetate (25 mL x 3) . The combined organic layers were washed with brine (50 mL) , dried over anhydrous Na2SC>4, and concentrated under reduced pressure to give the crude product 3-2 (10.5 g, 96%) which was used for next step without purification; LCMS: m/z 259.1 [M + 1] .
		Step I: 1-(benzenesulfonyl)pyrrolo[3,2-c]pyridine (3-2) A solution of 5-azaindole 3-1 (5 g, 42.3 mmol) in THF (50 mL) was added to a suspension of NaH (60% in mineral oil, 2 g, 50.8 mmol) in THF (50 mL) at 0 C. over 30 minutes. The resulting reaction mixture was allowed to warm to room temperature and stirred for 30 minutes. The reaction mixture was again cooled to 0 C., and benzenesulfonyl chloride (6.5 mL, 50.8 mmol) was added thereto over a period of 10 minutes, and the mixture was stirred at room temperature for 2 hours. The reaction mixture was diluted with saturated NH4Cl solution (25 mL) and ethyl acetate (50 mL). The organic layer was separated, and the aqueous layer was extracted with ethyl acetate (25 mL*3). The combined organic layers were washed with brine (50 mL), dried over anhydrous Na2SO4, and concentrated under reduced pressure to give the crude product 3-2 (10.5 g, 96%) which was used for next step without purification; LCMS: m/z 259.1 [M++1].

Reference： [1]Synthesis,2005,p. 3581 - 3588
[2]Patent: WO2017/23987,2017,A1 .Location in patent: Paragraph 0675; 0676
[3]Patent: WO2017/24003,2017,A1 .Location in patent: Paragraph 0675; 0676
[4]Patent: WO2017/24010,2017,A1 .Location in patent: Paragraph 0622; 0623
[5]Patent: WO2017/23984,2017,A1 .Location in patent: Paragraph 0675
[6]Tetrahedron,1993,vol. 49,p. 2885 - 2914
[7]Patent: WO2015/88045,2015,A1 .Location in patent: Paragraph 0339; 0340
[8]Patent: US2017/8885,2017,A1 .Location in patent: Paragraph 0741-0742

2
[ 271-34-1 ]
[ 877060-47-4 ]

Yield	Reaction Conditions	Operation in experiment
83%		To a solution of lH-pyrrolo[3,2-c]pyridine (5.76 g, 48.8 mmol , 1.0 eq) in DMF (30 mL) was added KOH (10.39 g, 185.5 mmol , 3.8 eq). The reaction mixture was stirred at rt for 15 min. The reaction mixture was cooled to 0 C and a solution of 12 (12.4 g, 48.8 mmol, 1.0 eq ) in DMF ( 15 mL ) was added. After stirring for 15 min at rt, the reaction mixture was poured into water. The mixture was filtered and the solid was rinsed with water. The yellow solid was dried in vacuo to give 3-iodo-lH-pyrrolo[3,2-c]pyridine (9.9 g , 83%).
		To a solution of Compound 1 (4 g, 33.86 mmol, 1 eq) in DMF (16 mL) was added KOH (7.18 g, 128.00 mmol, 3.78 eq), the mixture was stirred at 25C for 0.25 hr, and then a solution of I2 (8.59 g, 33.86 mmol, 6.82 mL, 1 eq) in DMF (16 mL) was added. The mixture was stirred at 25C for 0.25 hr. TLC indicated Compound 1 was consumed, and one major new spot with lower polarity was detected. The reaction mixture was quenched by saturated Na2S2O3 solution (50 mL), diluted with H2O (50 mL), extracted with EtOAc (100 mL*3). The combined organic layers were dried over Na2SO4, filtered and concentrated to give Compound 2 (7 g, crude) as a yellow solid. 1H NMR (400 MHz, MeOD) d = 8.54 (s, 1H), 8.28 - 8.13 (m, 1H), 7.55 - 7.46 (m, 1H), 7.43 - 7.37 (m, 1H)

Reference： [1]Synthesis,2005,p. 3581 - 3588
[2]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 2056 - 2060
[3]Patent: WO2018/11628,2018,A1 .Location in patent: Paragraph 00308
[4]Organic and Biomolecular Chemistry,2011,vol. 9,p. 5129 - 5136
[5]Patent: WO2020/198583,2020,A1 .Location in patent: Paragraph 000217

3
[ 1678-53-1 ]
[ 271-34-1 ]

Reference： [1]Tetrahedron,1993,vol. 49,p. 2885 - 2914
[2]Journal of Organic Chemistry,1959,vol. 24,p. 1008,1010

4
[ 271-34-1 ]
[ 1147422-00-1 ]

Reference： [1]Patent: WO2013/71697,2013,A1
[2]Patent: US2014/228361,2014,A1

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P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
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. 271-34-1 ] {[proInfo.proName]}

Quality Control of [ 271-34-1 ]

Related Doc. of [ 271-34-1 ]

Product Details of [ 271-34-1 ]

Calculated chemistry of [ 271-34-1 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 271-34-1 ]

Application In Synthesis of [ 271-34-1 ]

[ 271-34-1 ] Synthesis Path-Upstream 1~1

[ 271-34-1 ] Synthesis Path-Downstream 1~4

Technical Information

Related Parent Nucleus of [ 271-34-1 ]

Other Aromatic Heterocycles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 271-34-1 ]