chempirical

2-Chloro-4-methylquinoline

C10H8ClNCAS 634-47-9177.63 g/mol

Open in Covalent MOL file
ClN
Aryl halide

Properties

Molecular formula
C10H8ClN
Molar mass
177.63 g/mol
Exact mass
177.0345 Da
Melting point
59 °C
Boiling point
296 °C
logP
3.20Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
634-47-9
SMILES
Cc1cc(Cl)nc2ccccc12
InChIKey
PFEIMKNQOIFKSW-UHFFFAOYSA-N
InChI
InChI=1S/C10H8ClN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3

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

Names and synonyms

4 names
  • Quinoline, 2-chloro-4-methyl-
  • Lepidine, 2-chloro-
  • 2-Chlorolepidine
  • NSC 96476

Reactions

Work with 2-Chloro-4-methylquinoline

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-Chloro-4-quinolinecarbonyl chloride2388-32-150 % similar 2-Chloro-4-quinolinecarboxylic acid5467-57-249 % similar 9-Chloroacridine1207-69-845 % similar 9-Methylacridine611-64-345 % similar 1,3-Dichloroisoquinoline7742-73-643 % similar 2-Chloroquinoxaline1448-87-942 % similar 2-Chloroquinoline612-62-442 % similar 2,6-Dichloro-4-methyl-3-pyridinecarbonitrile875-35-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chloro-6-methylquinoline18436-71-0 4-Chloro-2-methylquinoline4295-06-1 7-Chloroquinaldine4965-33-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook