Basic information
- CAS
7065-92-1- Standard SMILES
Clc1nc2ccccc2nc1-c1ccccc1- InChIKey
KPGPIQKEKAEAHM-UHFFFAOYSA-N- Molecular formula
- C14H9ClN2
- Average molar mass
- 240.69 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-3-phenylquinoxaline
- IUPAC
- 2-chloro-3-phenylquinoxaline
- English name
- 2-Chloro-3-phenylquinoxaline
- Molecular formula
- C14H9ClN2
- Molecular weight
- 240.69
Names & synonyms
2-chloro-3-phenylquinoxalineRefChem:468741891-071-47065-92-1MFCD002348482-Chloro-3-phenyl-quinoxalineQuinoxaline, 2-chloro-3-phenyl-3-chloro-2-phenylquinoxalineMLS000765780IFLab1_000546SCHEMBL1545355CHEMBL1330063
Show more names
2-Chloro-3-phenylquinoxaline（WS203325）1-(3-{[5-(morpholin-4-ylsulfonyl)pyridin-2-yl]amino}phenyl)e...1-(3-{[5-(morpholin-4-ylsulfonyl)pyridin-2-yl]amino}phenyl)ethanone
SCHEMBL28338278SCHEMBL28828233KPGPIQKEKAEAHM-UHFFFAOYSA-NHMS1413I18HMS2757J13SBB099345AKOS000639282Quinoxaline,?2-?chloro-?3-?phenyl-
Database identifiers
- CAS
7065-92-1- PubChem CID
- 677464
- ChEMBL
CHEMBL1330063- EC Number
- 891-071-4
- Nikkaji
- J1.041.217J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Experimental & physicochemical properties
Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 128 °C · 128 °C
- Boiling point
- 355.7 · 355.7±37.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- pka
- -2.14 · -2.14±0.48(Predicted)
- InChI
- InChI=1S/C14H9ClN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H
- InChIKey
- KPGPIQKEKAEAHM-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=CC=2)N=C(C2=CC=CC=C2)C=1Cl
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers48 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Nanjing Paron Technology Co., Ltd+86-13770590702 +86-13770590702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
西安瑞联新材料股份有限公司029-68669089-8800 13087509181 · [email protected]
QINGDAO KAIENSI INTERNATIONAL TRADE CO.,LTD.+86-0532-8699-9256 +86-18518128472 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
上海惯承化工科技有限公司
Related reactions
2 records
Compound notes
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