8-Chloroquinoline
Properties
- Molecular formula
- C9H6ClN
- Molar mass
- 163.60 g/mol
- Exact mass
- 163.0189 Da
- Melting point
- −20 °C
- Boiling point
- 288.5 °C
- logP
- 2.89Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed25% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
611-33-6SMILES
Clc1cccc2cccnc12InChIKey
RUSMDMDNFUYZTM-UHFFFAOYSA-NInChI
InChI=1S/C9H6ClN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Quinoline, 8-chloro-
- NSC 56815
Work with 8-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
5-Chloro-1,10-phenanthroline4199-89-762 % similar
1,10-Phenanthroline66-71-761 % similar
8-Bromoquinoline16567-18-356 % similar
2,3-Dichloropyridine2402-77-954 % similar
1,10-Phenanthroline hydrochloride3829-86-554 % similar
4,5-Phenanthroline monohydrate5144-89-854 % similar
8-Iodo quinoline1006-47-954 % similar
8-Hydroxyquinoline148-24-354 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.