Basic information
- CAS
56241-09-9- Standard SMILES
O=c1[nH]cc(Cl)c2ccccc12- InChIKey
MVWIXKFNHOXLBU-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO
- Average molar mass
- 179.6 g/mol
- Monoisotopic mass
- 179.0137915
Names & identifiers
- Preferred name
- 4-Chloro-1(2H)-isoquinolone
- IUPAC
- 4-chloro-2H-isoquinolin-1-one
- English name
- 4-Chloro-1(2H)-isoquinolone
- Molecular formula
- C9H6ClNO
- Molecular weight
- 179.6
Names & synonyms
56241-09-94-Chloro-1(2H)-isoquinolone4-chloroisoquinolin-1(2H)-one4-chloro-2H-isoquinolin-1-one1(2H)-Isoquinolinone, 4-chloro-4-CHLORO-ISOQUINOLIN-1-OL4-CHLOROISOQUINOLIN-1-OLMFCD018618594-chloro-1-isoquinolinolSCHEMBL15365134-Chloro-1(2H)-isoquinolinone4-Chloro-1-(2H)-isoquinolone
Show more names
4-CHLOROISOCARBOSTYRIL4-Chloro-1-(2H)isoquinoline4-CHLORO-1-HYDROXYISOQUINOLINE4-chloro-1,2-dihydroisoquinolin-1-one
SCHEMBL11005196SCHEMBL12804693SCHEMBL29914866DTXSID30356466MVWIXKFNHOXLBU-UHFFFAOYSA-NGCA24109CL1006MFCD00834984
Database identifiers
- CAS
56241-09-9- PubChem CID
- 824649
- DTXSID
DTXSID30356466- EC Number
- 633-487-9
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 235 · 235-237℃ (DEC)
- Boiling point
- 394.2 · 394.2±42.0 °C(Predicted)
- Density
- 1.38 · 1.38
- storage temp.
- 2 · 2-8°C
- pka
- 11.91 · 11.91±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers50 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉卓元易创科技有限公司13476791851 13476791851 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
常州科化生物科技有限公司
Related reactions
6 records
Compound notes
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