2-Chloroquinoline
Properties
- Molecular formula
- C9H6ClN
- Molar mass
- 163.60 g/mol
- Exact mass
- 163.0189 Da
- Melting point
- 38 °C
- Boiling point
- 266 °C
- logP
- 2.89Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
612-62-4SMILES
Clc1ccc2ccccc2n1InChIKey
OFUFXTHGZWIDDB-UHFFFAOYSA-NInChI
InChI=1S/C9H6ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Quinoline, 2-chloro-
- NSC 6163
Work with 2-Chloroquinoline
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,2′-Biquinoline119-91-556 % similar
2,6-Dichloroquinoline1810-72-655 % similar
7-Bromo-2-chloro-quinoline99455-15-953 % similar
2,9-Dichloro-1,10-phenanthroline29176-55-452 % similar
2,8-Dichloroquinoline4470-83-152 % similar
2,5-Dichloroquinoline59412-12-352 % similar
6-Bromo-2-chloroquinoline1810-71-552 % similar
2-Chloro-6-methylquinoline4295-11-852 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.