Basic information
- CAS
57521-15-0- Standard SMILES
Cc1nc2ccccc2c(Cl)c1CCCl- InChIKey
PQDVRCSZKVSKGV-UHFFFAOYSA-N- Molecular formula
- C12H11Cl2N
- Average molar mass
- 240.12 g/mol
- Monoisotopic mass
- 239.0268547
Names & identifiers
- Preferred name
- 4-Chloro-3-(2-chloroethyl)-2-methylquinoline
- IUPAC
- 4-chloro-3-(2-chloroethyl)-2-methylquinoline
- English name
- 4-CHLORO-3-(2-CHLOROETHYL)-2-METHYLQUINOLINE
- Molecular formula
- C12H11Cl2N
- Molecular weight
- 240.13
Names & synonyms
4-chloro-3-(2-chloroethyl)-2-methylquinoline57521-15-0Quinoline, 4-chloro-3-(2-chloroethyl)-2-methyl-2-Methyl-3-(2-chloroethyl)-4-chloroquinolineSCHEMBL2833930DTXSID00356190PQDVRCSZKVSKGV-UHFFFAOYSA-NSBB0992244-chloro-3-(2-chloroethyl)-2-methyl-quinolineAO-476/14512030BUTTPARK 53\40-47
Database identifiers
- CAS
57521-15-0- PubChem CID
- 820320
- DTXSID
DTXSID00356190- Nikkaji
- J2.558.785E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 60 °C · 60 °C
- Boiling point
- 156 °C · 156 °C(Press: 2 Torr)
- Density
- 1.269 · 1.269±0.06 g/cm3(Predicted)
- pka
- 4.13 · 4.13±0.50(Predicted)
Chemistry & industry
Suppliers2 total
BUTTPARK[email protected]
SPECS[email protected]
Related reactions
5 records
Compound notes
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