4-Chloro-2,8-bis(trifluoromethyl)quinoline

C₁₁H₄ClF₆NCAS 83012-13-9299.60 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₁₁H₄ClF₆N
Molar mass: 299.60 g/mol
Exact mass: 298.9936 Da
Melting point: 45–46 °C
Boiling point: 148–152 °C (at 18 Torr)
logP: 4.93Crippen 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 irritation100% of notifiers

Aggregated from 41 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

83012-13-9

SMILES

FC(F)(F)c1cc(Cl)c2cccc(C(F)(F)F)c2n1

InChIKey

ZSQOESPYYNJBCZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H4ClF6N/c12-7-4-8(11(16,17)18)19-9-5(7)2-1-3-6(9)10(13,14)15/h1-4H

Weigh it out

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

Names and synonyms

2 names

Quinoline, 4-chloro-2,8-bis(trifluoromethyl)-
2,8-Bis(trifluoromethyl)-4-chloroquinoline

Work with 4-Chloro-2,8-bis(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

4,8-Dichloro-2-(trifluoromethyl)quinoline18706-35-979 % similar 2,8-Bis(trifluoromethyl)-4-hydroxyquinoline35853-41-968 % similar 4-Chloro-2-(trifluoromethyl)quinoline1701-24-262 % similar 4-Chloro-8-(trifluoromethyl)quinoline23779-97-758 % similar 4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline59611-55-150 % similar 2-Chlorobenzotrifluoride88-16-450 % similar 4-Chloro-6-methyl-2-(trifluoromethyl)quinoline1701-26-449 % similar 6-Bromo-4-chloro-2-(trifluoromethyl)quinoline1701-28-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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