4-Chloro-2,8-dimethylquinoline

C₁₁H₁₀ClNCAS 32314-39-9191.66 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₁H₁₀ClN
Molar mass: 191.66 g/mol
Exact mass: 191.0502 Da
logP: 3.51Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed88.6% of notifiers
H315 Causes skin irritation11.4% of notifiers
H318 Causes serious eye damage88.6% of notifiers
H319 Causes serious eye irritation11.4% of notifiers
H335 May cause respiratory irritation11.4% of notifiers

Aggregated from 44 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

32314-39-9

SMILES

CC1=C2C(=CC=C1)C(=CC(=N2)C)Cl

InChIKey

ILOAZUIOTZZIBK-UHFFFAOYSA-N

InChI

InChI=1S/C11H10ClN/c1-7-4-3-5-9-10(12)6-8(2)13-11(7)9/h3-6H,1-2H3

Weigh it out

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

Work with 4-Chloro-2,8-dimethylquinoline

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

4-Chloro-8-methoxy-2-methylquinoline64951-58-262 % similar 4-Chloro-2-methylquinoline4295-06-159 % similar 4-Chloro-8-methylquinoline18436-73-254 % similar Chlorquinaldol72-80-049 % similar 2,8-Dimethylquinoline1463-17-849 % similar 8-Chloro-2-methylquinoline3033-82-747 % similar 2-Chlorotoluene95-49-845 % similar 4-Chloro-6-fluoro-2-methylquinoline18529-01-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(4-Chlorophenyl)cyclobutanecarbonitrile28049-61-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook