4-Chloro-8-(trifluoromethyl)quinoline

C10H5ClF3NCAS 23779-97-7231.60 g/mol

Open in Covalent MOL file
FFFClN
Alkyl halideAryl halide

Properties

Molecular formula
C10H5ClF3N
Molar mass
231.60 g/mol
Exact mass
231.0063 Da
Melting point
78 °C
logP
3.91Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
23779-97-7
SMILES
FC(F)(F)c1cccc2c(Cl)ccnc12
InChIKey
LINGICLAECZKAW-UHFFFAOYSA-N
InChI
InChI=1S/C10H5ClF3N/c11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h1-5H

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

Names and synonyms

1 names
  • Quinoline, 4-chloro-8-(trifluoromethyl)-

Work with 4-Chloro-8-(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

8-(Trifluoromethyl)-4-quinolinol23779-96-664 % similar 4-Amino-8-(trifluoromethyl)quinoline243977-15-364 % similar 4,8-Dichloroquinoline21617-12-959 % similar 4-Chloro-2,8-bis(trifluoromethyl)quinoline83012-13-958 % similar 4-Chloro-8-fluoroquinoline63010-72-057 % similar 4,7-Dichloro-1,10-phenanthroline5394-23-055 % similar 4-Chloro-8-methylquinoline18436-73-253 % similar 2-Chlorobenzotrifluoride88-16-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-2-(trifluoromethyl)quinoline1701-24-2 4-Chloro-7-(trifluoromethyl)quinoline346-55-4 4-Chloro-6-(trifluoromethyl)quinoline49713-56-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook