7-Chloroquinaldine

C₁₀H₈ClNCAS 4965-33-7177.63 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈ClN
Molar mass: 177.63 g/mol
Exact mass: 177.0345 Da
Melting point: 74.5–76 °C
Boiling point: 280–282 °C (at 761 Torr)
logP: 3.20Crippen estimate
Polar surface area: 12.9 Å²
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 irritation97.7% of notifiers

Aggregated from 43 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

4965-33-7

SMILES

Cc1ccc2ccc(Cl)cc2n1

InChIKey

WQZQFYRSYLXBGP-UHFFFAOYSA-N

InChI

InChI=1S/C10H8ClN/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h2-6H,1H3

Weigh it out

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

Names and synonyms

3 names

Quinoline, 7-chloro-2-methyl-
Quinaldine, 7-chloro-
7-Chloro-2-methylquinoline

Work with 7-Chloroquinaldine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Chloroquinaldine92-46-676 % similar 2,7-Dimethylquinoline93-37-862 % similar 7-Fluoro-2-methylquinoline1128-74-156 % similar Quinaldine91-63-453 % similar 4-Chloro-2,6-dimethylpyridine3512-75-250 % similar 2,6-Dimethylquinoline877-43-050 % similar 7-Chloroquinoline612-61-348 % similar 6-Fluoro-2-methylquinoline1128-61-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-6-methylquinoline18436-71-0 4-Chloro-8-methylquinoline18436-73-2 8-Chloro-2-methylquinoline3033-82-7 4-Chloro-2-methylquinoline4295-06-1 2-Chloro-6-methylquinoline4295-11-8 5-Chloroquinaldine4964-69-6 1-(4-Chlorophenyl)-1H-pyrrole5044-38-2 2-Chloro-3-methylquinoline57876-69-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook