Basic information
- CAS
128676-94-8- Standard SMILES
Oc1cc2ccccc2nc1Cl- InChIKey
YXEMPRTUAQVUOI-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO
- Average molar mass
- 179.6 g/mol
- Monoisotopic mass
- 179.01379149
Names & identifiers
- Preferred name
- 2-Chloroquinolin-3-ol
- IUPAC
- 2-chloroquinolin-3-ol
- English name
- 2-Chloroquinolin-3-ol
- Molecular formula
- C9H6ClNO
- Molecular weight
- 179.6
Names & synonyms
2-chloroquinolin-3-ol128676-94-8DTXSID30562222RefChem:259567DTXCID205129983-Quinolinol, 2-chloro-2-CHLORO-3-HYDROXYQUINOLINEMFCD11040214hydroxychloroquinolineAKOS006307559CS-W0216762-chloro-3-quinolinol
Show more names
2-chloranylquinolin-3-olSCHEMBL1067857SCHEMBL31544472DFA67694SB13005DS-16477EN300-1985391F232051
Database identifiers
- CAS
128676-94-8- PubChem CID
- 14616631
- DTXSID
DTXSID30562222- Nikkaji
- J2.861.133A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 210 ℃ · >210℃
- Boiling point
- 315.2 · 315.2±22.0 °C(Predicted)
- Density
- 1.412 · 1.412
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 6.58 · 6.58±0.40(Predicted)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 228 · H228-H320
- Precautionary statements
- 210 · P210-P240-P241-P264-P280-P305+P351+P338+P337+P313
Safety & regulation
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- Hazard statements
- H228-H320
- Precautionary statements
- P210-P240-P241-P264-P280-P305+P351+P338+P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers46 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
常州稀亚生物科技有限公司13775267187
Aladdin Scientific[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Related reactions
3 records
Compound notes
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