1,4-Dichloro-2-(trifluoromethyl)benzene

C₇H₃Cl₂F₃CAS 320-50-3215.00 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃Cl₂F₃
Molar mass: 215.00 g/mol
Exact mass: 213.9564 Da
logP: 4.01Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

320-50-3

SMILES

FC(F)(F)c1cc(Cl)ccc1Cl

InChIKey

DYBYUWVMLBBEMA-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl2F3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H

Weigh it out

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

Names and synonyms

5 names

Benzene, 1,4-dichloro-2-(trifluoromethyl)-
Toluene, 2,5-dichloro-α,α,α-trifluoro-
2,5-Dichlorobenzotrifluoride
2,5-Dichloro-α,α,α-trifluorotoluene
NSC 60712

Work with 1,4-Dichloro-2-(trifluoromethyl)benzene

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

2,4-Bis(trifluoromethyl)chlorobenzene327-76-464 % similar 4-Chloro-1-fluoro-2-(trifluoromethyl)benzene89634-74-262 % similar 1-Chloro-4-fluoro-2-(trifluoromethyl)benzene89634-75-362 % similar 4-Chloro-1-iodo-2-(trifluoromethyl)benzene23399-77-160 % similar 2-Chloro-5-iodobenzotrifluoride260355-20-260 % similar 4-Chloro-3-(trifluoromethyl)aniline320-51-460 % similar 1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-060 % similar 5-Bromo-2-chlorobenzotrifluoride445-01-260 % similar

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

Same formula

2,6-Dichloro-benzotrifluoride104359-35-5 2,4-Dichlorobenzotrifluoride320-60-5 3,4-Dichlorobenzotrifluoride328-84-7 1,2-Dichloro-3-(trifluoromethyl)benzene54773-19-2 1,3-Dichloro-5-(trifluoromethyl)benzene54773-20-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook