Basic information
- CAS
193827-70-2- Standard SMILES
CCOC(=O)c1cnc2c(F)ccc(F)c2c1Cl- InChIKey
JMOVJUQPVAVONE-UHFFFAOYSA-N- Molecular formula
- C12H8ClF2NO2
- Average molar mass
- 271.64 g/mol
- Monoisotopic mass
- 271.02116262
Names & identifiers
- Preferred name
- Ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
- IUPAC
- ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
- English name
- 4-Chloro-5,8-difluoroquinoline-3-carboxylic acid ethyl ester
- Molecular formula
- C12H8ClF2NO2
- Molecular weight
- 271.65
Names & synonyms
193827-70-2ETHYL 4-CHLORO-5,8-DIFLUOROQUINOLINE-3-CARBOXYLATE4-Chloro-5,8-difluoroquinoline-3-carboxylic acid ethyl esterMFCD00067799Oprea1_627669SCHEMBL8883620DTXSID60589205JMOVJUQPVAVONE-UHFFFAOYSA-NAKOS000192011AB02756EN300-2206404-CHLORO-3-ETHOXYCARBONYL-5,8-DIFLUOROQUINOLINE
Show more names
Ethyl 4-chloro-5,8-difluoro-3-quinolinecarboxylate3-Quinolinecarboxylic acid, 4-chloro-5,8-difluoro-, ethyl ester
ETHYL4-CHLORO-5,8-DIFLUOROQUINOLINE-3-CARBOXYLATE
Database identifiers
- CAS
193827-70-2- PubChem CID
- 17040076
- DTXSID
DTXSID60589205
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Boiling point
- 334.9 · 334.9±37.0 °C(Predicted)
- Density
- 1.418 · 1.418±0.06 g/cm3(Predicted)
- pka
- -2.25 · -2.25±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
8 records
Compound notes
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