3,5-Bis(trifluoromethyl)benzyl chloride

C₉H₅ClF₆CAS 75462-59-8262.58 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₅ClF₆
Molar mass: 262.58 g/mol
Exact mass: 261.9984 Da
Melting point: 47–48.5 °C
logP: 4.46Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 48 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

75462-59-8

SMILES

FC(F)(F)c1cc(CCl)cc(C(F)(F)F)c1

InChIKey

OINTXXMBRBLMHH-UHFFFAOYSA-N

InChI

InChI=1S/C9H5ClF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2

Weigh it out

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

Names and synonyms

4 names

Benzene, 1-(chloromethyl)-3,5-bis(trifluoromethyl)-
1-(Chloromethyl)-3,5-bis(trifluoromethyl)benzene
3,5-Ditrifluoromethylbenzyl chloride
1,3-Ditrifluoromethyl-5-chloromethylbenzene

Work with 3,5-Bis(trifluoromethyl)benzyl chloride

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-(Trifluoromethyl)benzyl chloride705-29-364 % similar 4-Trifluoromethylbenzyl chloride939-99-162 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-757 % similar 3,5-Bis(trifluoromethyl)benzyl bromide32247-96-456 % similar 3,5-Bis(trifluoromethyl)benzenemethanol32707-89-456 % similar 3,5-Bis(trifluoromethyl)benzylamine85068-29-756 % similar 3,5-Bis(trifluoromethyl)benzeneacetonitrile85068-32-255 % similar 1-Chloro-3,5-bis(trifluoromethyl)benzene328-72-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1-Chloro-2,2,2-trifluoro-1-trifluoromethyl-ethyl)-benzene16878-50-5 2,4-Bis(trifluoromethyl)benzyl chloride195136-46-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook