成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 698-01-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 698-01-1
Chemical Structure| 698-01-1
Structure of 698-01-1 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 698-01-1 ]

Related Doc. of [ 698-01-1 ]

Alternatived Products of [ 698-01-1 ]
Product Citations

Product Details of [ 698-01-1 ]

CAS No. :698-01-1 MDL No. :MFCD03452792
Formula : C8H10ClN Boiling Point : No data available
Linear Structure Formula :- InChI Key :QDCPXCIPVQJVDD-UHFFFAOYSA-N
M.W : 155.63 Pubchem ID :12772
Synonyms :

Calculated chemistry of [ 698-01-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 1
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 45.66
TPSA : 3.24 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.35 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.13
Log Po/w (XLOGP3) : 2.67
Log Po/w (WLOGP) : 2.41
Log Po/w (MLOGP) : 2.72
Log Po/w (SILICOS-IT) : 2.03
Consensus Log Po/w : 2.39

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.86
Solubility : 0.212 mg/ml ; 0.00136 mol/l
Class : Soluble
Log S (Ali) : -2.39
Solubility : 0.634 mg/ml ; 0.00407 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.11
Solubility : 0.121 mg/ml ; 0.000778 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.15

Safety of [ 698-01-1 ]

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

Application In Synthesis of [ 698-01-1 ]

* 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.

  • Downstream synthetic route of [ 698-01-1 ]

[ 698-01-1 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 95-51-2 ]
  • [ 616-38-6 ]
  • [ 698-01-1 ]
  • [ 932-32-1 ]
YieldReaction ConditionsOperation in experiment
36%; 63% With NaY-BS zeolite; at 150℃; for 1h; General procedure: Into a pressure microreactor of stainless steel of 17 mL capacity or into a glass ampule (20 mL) (results of the parallel runs were virtually identic) was charged 5-10 wt % of catalyst (0.94HY-BS, NaY-BS, 0.72KNaX-BS), 100 mmol of aniline or its derivative, and 400 mmol of dimethyl carbonate. The reactor was hermetically closed (the ampule was sealed), and was heated for 1-4 h at 150 C. After the end of the run the reactor was cooled to room temperature, opened, the reaction mixture was filtered through a bed of Al2O3. Dimethyl carbonate was distilled off, the residue was distilled at atmospheric pressure or in a vacuum, or crystallized from ethanol.
55%; 38% With 0.72 KNaX-BS zeolite; at 150℃; for 1h; General procedure: Into a pressure microreactor of stainless steel of 17 mL capacity or into a glass ampule (20 mL) (results of the parallel runs were virtually identic) was charged 5-10 wt % of catalyst (0.94HY-BS, NaY-BS, 0.72KNaX-BS), 100 mmol of aniline or its derivative, and 400 mmol of dimethyl carbonate. The reactor was hermetically closed (the ampule was sealed), and was heated for 1-4 h at 150 C. After the end of the run the reactor was cooled to room temperature, opened, the reaction mixture was filtered through a bed of Al2O3. Dimethyl carbonate was distilled off, the residue was distilled at atmospheric pressure or in a vacuum, or crystallized from ethanol.
  • 2
  • [ 50-00-0 ]
  • [ 88-73-3 ]
  • [ 698-01-1 ]
  • [ 932-32-1 ]
YieldReaction ConditionsOperation in experiment
With methanol; hydrogen; at 99.84℃; under 9750.98 Torr; for 2.11667h;Autoclave; General procedure: The catalytic hydrogenation reaction was conducted in a stainless-steel autoclave reactor (70mL capacity) heated in oil bath. Substrate (6mmol), solvent (20mL) and catalyst (0.5g) were directly added into the reactor. The autoclave was purged with N2 and H2 three times before the reaction started. The reaction process was monitored by gas chromatography (GC) (Agilent 6890) with a flame ionization detector (FID) system.
  • 3
  • [ 121-69-7 ]
  • [ 366-29-0 ]
  • [ 403-46-3 ]
  • [ 393-56-6 ]
  • [ 698-01-1 ]
  • [ 556-21-8 ]
  • [ 101-61-1 ]
  • [ 100-10-7 ]
  • [ 98-09-9 ]
YieldReaction ConditionsOperation in experiment
6% With zirconium(IV) chloride; N-fluorobis(benzenesulfon)imide; In chloroform; for 5.0h;Reflux; General procedure: To a solution of amine (0.1mmol) in 3mL of CHCl3 the corresponding amount of NFSI in 2mL of the same solvent was added. The reaction mass was stirred at selected temperature during the time indicated in Table 1. The resulting solution was washed with water (2×15mL), dried over Na2SO4 and evaporated to dryness. The residue was analyzed either by GC/MS or separated by column chromatography.
  • 5
  • [ 932-32-1 ]
  • [ 616-38-6 ]
  • [ 698-01-1 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 698-01-1 ]

Aryls

Chemical Structure| 932-32-1

[ 932-32-1 ]

2-Chloro-N-methylaniline

Similarity: 0.93

Chemical Structure| 698-69-1

[ 698-69-1 ]

4-Chloro-N,N-dimethylaniline

Similarity: 0.90

Chemical Structure| 16154-72-6

[ 16154-72-6 ]

3-Chloro-4-(4-methylpiperazin-1-yl)benzenamine

Similarity: 0.89

Chemical Structure| 1052538-72-3

[ 1052538-72-3 ]

3-Chloro-4-(4-methylpiperazin-1-yl)aniline hydrochloride

Similarity: 0.89

Chemical Structure| 932-96-7

[ 932-96-7 ]

4-Chloro-N-methylaniline

Similarity: 0.83

Chlorides

Chemical Structure| 932-32-1

[ 932-32-1 ]

2-Chloro-N-methylaniline

Similarity: 0.93

Chemical Structure| 698-69-1

[ 698-69-1 ]

4-Chloro-N,N-dimethylaniline

Similarity: 0.90

Chemical Structure| 16154-72-6

[ 16154-72-6 ]

3-Chloro-4-(4-methylpiperazin-1-yl)benzenamine

Similarity: 0.89

Chemical Structure| 1052538-72-3

[ 1052538-72-3 ]

3-Chloro-4-(4-methylpiperazin-1-yl)aniline hydrochloride

Similarity: 0.89

Chemical Structure| 932-96-7

[ 932-96-7 ]

4-Chloro-N-methylaniline

Similarity: 0.83

Amines

Chemical Structure| 932-32-1

[ 932-32-1 ]

2-Chloro-N-methylaniline

Similarity: 0.93

Chemical Structure| 698-69-1

[ 698-69-1 ]

4-Chloro-N,N-dimethylaniline

Similarity: 0.90

Chemical Structure| 16154-72-6

[ 16154-72-6 ]

3-Chloro-4-(4-methylpiperazin-1-yl)benzenamine

Similarity: 0.89

Chemical Structure| 1052538-72-3

[ 1052538-72-3 ]

3-Chloro-4-(4-methylpiperazin-1-yl)aniline hydrochloride

Similarity: 0.89

Chemical Structure| 932-96-7

[ 932-96-7 ]

4-Chloro-N-methylaniline

Similarity: 0.83

; ;