4-Chloro-7-(trifluoromethyl)quinoline

C₁₀H₅ClF₃NCAS 346-55-4231.60 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₁₀H₅ClF₃N
Molar mass: 231.60 g/mol
Exact mass: 231.0063 Da
Melting point: 71–72 °C
logP: 3.91Crippen 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 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

346-55-4

SMILES

FC(F)(F)c1ccc2c(Cl)ccnc2c1

InChIKey

LLRQVSZVVAKRJA-UHFFFAOYSA-N

InChI

InChI=1S/C10H5ClF3N/c11-8-3-4-15-9-5-6(10(12,13)14)1-2-7(8)9/h1-5H

Weigh it out

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

Names and synonyms

2 names

Quinoline, 4-chloro-7-(trifluoromethyl)-
4-Chloro-7-trifluoromethylquinoline

Work with 4-Chloro-7-(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-Amino-7-(trifluoromethyl)quinoline243666-11-762 % similar 4-Chloro-2-methyl-7-(trifluoromethyl)quinoline18529-09-457 % similar 4,7-Dichloroquinoline86-98-657 % similar 7-Bromo-4-chloroquinoline75090-52-754 % similar 7-(Trifluoromethyl)quinoline325-14-450 % similar 3,4-Dichlorobenzotrifluoride328-84-750 % similar 4-Chloro-7-methoxyquinoline68500-37-850 % similar 2-Chloro-4-(trifluoromethyl)pyridine81565-18-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-2-(trifluoromethyl)quinoline1701-24-2 4-Chloro-8-(trifluoromethyl)quinoline23779-97-7 4-Chloro-6-(trifluoromethyl)quinoline49713-56-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook