2,4-Bis(trifluoromethyl)chlorobenzene

C₈H₃ClF₆CAS 327-76-4248.55 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₃ClF₆
Molar mass: 248.55 g/mol
Exact mass: 247.9827 Da
logP: 4.38Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor80% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

327-76-4

SMILES

C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)Cl

InChIKey

XIVDTLKMHDHQCB-UHFFFAOYSA-N

InChI

InChI=1S/C8H3ClF6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13,14)15/h1-3H

Weigh it out

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

Names and synonyms

1 names

1-Chloro-2,4-bis(trifluoromethyl)benzene

Work with 2,4-Bis(trifluoromethyl)chlorobenzene

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

3,4-Dichlorobenzotrifluoride328-84-769 % similar 1,4-Dichloro-2-(trifluoromethyl)benzene320-50-364 % similar 4-Chloro-3-fluorobenzotrifluoride32137-20-562 % similar 1-Chloro-4-fluoro-2-(trifluoromethyl)benzene89634-75-362 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-660 % similar 2-Chloro-5-iodobenzotrifluoride260355-20-260 % similar 4-Chloro-3-(trifluoromethyl)aniline320-51-460 % similar 2-Chloro-5-(trifluoromethyl)phenol40889-91-660 % similar

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

Same formula

1-Chloro-3,5-bis(trifluoromethyl)benzene328-72-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook