4-Chloro-6-methyl-2-(trifluoromethyl)quinoline

C₁₁H₇ClF₃NCAS 1701-26-4245.63 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₁₁H₇ClF₃N
Molar mass: 245.63 g/mol
Exact mass: 245.0219 Da
Melting point: 66–68 °C
logP: 4.22Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1701-26-4

SMILES

Cc1ccc2nc(C(F)(F)F)cc(Cl)c2c1

InChIKey

ZLSXNETUGWRDSH-UHFFFAOYSA-N

InChI

InChI=1S/C11H7ClF3N/c1-6-2-3-9-7(4-6)8(12)5-10(16-9)11(13,14)15/h2-5H,1H3

Weigh it out

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

Names and synonyms

2 names

Quinoline, 4-chloro-6-methyl-2-(trifluoromethyl)-
NSC 128775

Work with 4-Chloro-6-methyl-2-(trifluoromethyl)quinoline

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-6-fluoro-2-(trifluoromethyl)quinoline59611-55-167 % similar 6-Methyl-2-(trifluoromethyl)-4-quinolinol1701-20-865 % similar 6-Bromo-4-chloro-2-(trifluoromethyl)quinoline1701-28-665 % similar 4-Chloro-2-(trifluoromethyl)quinoline1701-24-263 % similar 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)-quinoline123637-51-460 % similar 4,8-Dichloro-2-(trifluoromethyl)quinoline18706-35-953 % similar 4-Chloro-6-methylquinoline18436-71-050 % similar 2-Chloro-4-methylbenzotrifluoride74483-46-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-2-methyl-7-(trifluoromethyl)quinoline18529-09-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook