4-Chloroquinoline

C9H6ClNCAS 611-35-8163.60 g/mol

Open in Covalent MOL file
ClN
Aryl halide

Properties

Molecular formula
C9H6ClN
Molar mass
163.60 g/mol
Exact mass
163.0189 Da
Melting point
34.5 °C
Boiling point
262 °C
logP
2.89Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
611-35-8
SMILES
Clc1ccnc2ccccc12
InChIKey
KNDOFJFSHZCKGT-UHFFFAOYSA-N
InChI
InChI=1S/C9H6ClN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • Quinoline, 4-chloro-
  • NSC 96902

Work with 4-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-Chloroquinoline635-27-876 % similar 4,5-Dichloroquinoline21617-18-559 % similar 4,8-Dichloroquinoline21617-12-957 % similar 4,6-Dichloroquinoline4203-18-357 % similar 4,7-Dichloroquinoline86-98-657 % similar 4-Chloro-6-methylquinoline18436-71-053 % similar 4-Chloro-6-fluoroquinoline391-77-553 % similar 6-Bromo-4-chloroquinoline65340-70-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloroisoquinoline19493-44-8 3-Chloroisoquinoline19493-45-9 8-Chloroisoquinoline34784-07-1 5-Chloroisoquinoline5430-45-5 8-Chloroquinoline611-33-6 6-Chloroquinoline612-57-7 3-Chloroquinoline612-59-9 7-Chloroquinoline612-61-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook