7-Chloroquinoline

C9H6ClNCAS 612-61-3163.60 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
85 °C
Boiling point
207–208 °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 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
612-61-3
SMILES
Clc1ccc2cccnc2c1
InChIKey
QNGUPQRODVPRDC-UHFFFAOYSA-N
InChI
InChI=1S/C9H6ClN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H

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

Names and synonyms

1 names
  • Quinoline, 7-chloro-

Work with 7-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

6-Chloroquinoxaline5448-43-157 % similar 7-Bromoquinoline4965-36-055 % similar 7-Aminoquinoline580-19-855 % similar 7-Hydroxyquinoline580-20-155 % similar 7-Methylquinoline612-60-255 % similar Quinoline91-22-552 % similar 7-(Trifluoromethyl)quinoline325-14-450 % similar Quinoline-7-carbaldehyde49573-30-050 % 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 4-Chloroquinoline611-35-8 6-Chloroquinoline612-57-7 3-Chloroquinoline612-59-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook