4,8-Dichloro-2-(trifluoromethyl)quinoline

C₁₀H₄Cl₂F₃NCAS 18706-35-9266.04 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₁₀H₄Cl₂F₃N
Molar mass: 266.04 g/mol
Exact mass: 264.9673 Da
logP: 4.56Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 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

18706-35-9

SMILES

C1=CC2=C(C(=C1)Cl)N=C(C=C2Cl)C(F)(F)F

InChIKey

ILLBOMMZLXFMAY-UHFFFAOYSA-N

InChI

InChI=1S/C10H4Cl2F3N/c11-6-3-1-2-5-7(12)4-8(10(13,14)15)16-9(5)6/h1-4H

Weigh it out

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

Work with 4,8-Dichloro-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-2,8-bis(trifluoromethyl)quinoline83012-13-979 % similar 4-Chloro-2-(trifluoromethyl)quinoline1701-24-268 % similar 4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline59611-55-154 % similar 4-Chloro-6-methyl-2-(trifluoromethyl)quinoline1701-26-453 % similar 6-Bromo-4-chloro-2-(trifluoromethyl)quinoline1701-28-653 % similar 2,8-Bis(trifluoromethyl)-4-hydroxyquinoline35853-41-951 % similar 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)-quinoline123637-51-449 % similar 8-Methyl-2-(trifluoromethyl)-4-quinolinol1701-19-548 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook