4-Trifluoromethylbenzyl chloride

C₈H₆ClF₃CAS 939-99-1194.58 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₆ClF₃
Molar mass: 194.58 g/mol
Exact mass: 194.0110 Da
logP: 3.44Crippen 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
H335 May cause respiratory irritation85.1% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

939-99-1

SMILES

C1=CC(=CC=C1CCl)C(F)(F)F

InChIKey

MCHDHQVROPEJJT-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2

Weigh it out

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

Names and synonyms

1 names

p-Trifluoromethylbenzyl chloride

Work with 4-Trifluoromethylbenzyl 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

3,5-Bis(trifluoromethyl)benzyl chloride75462-59-862 % similar 1,4-Bis(trifluoromethyl)benzene433-19-257 % similar Alpha,alpha'-Dichloro-p-xylene623-25-657 % similar 4-tert-Butylbenzyl chloride19692-45-656 % similar 4-(Trifluoromethyl)benzylamine3300-51-456 % similar 4-(Trifluoromethyl)benzenemethanol349-95-156 % similar 4-(Trifluoromethyl)benzyl bromide402-49-356 % similar 2-[4-(Trifluoromethyl)phenyl]ethan-1-amine775-00-854 % similar

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

Same formula

2-Trifluoromethylbenzyl chloride21742-00-7 3-(Trifluoromethyl)benzyl chloride705-29-3 2-Chloro-4-methylbenzotrifluoride74483-46-8

Elsewhere

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