4-(Trifluoromethoxy)benzyl chloride

C₈H₆ClF₃OCAS 65796-00-1210.58 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₈H₆ClF₃O
Molar mass: 210.58 g/mol
Exact mass: 210.0059 Da
logP: 3.32Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H290 May be corrosive to metals14.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H319 Causes serious eye irritation14.3% of notifiers
H335 May cause respiratory irritation14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P337+P317, P363, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

65796-00-1

SMILES

C1=CC(=CC=C1CCl)OC(F)(F)F

InChIKey

LBMKFQMJURUPKC-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2

Weigh it out

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

Work with 4-(Trifluoromethoxy)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

4-(Trifluoromethoxy)benzenemethanol1736-74-960 % similar [4-(Trifluoromethoxy)phenyl]methanethiol175278-03-260 % similar 4-Trifluoromethoxybenzyl bromide50824-05-060 % similar 4-(Trifluoromethoxy)benzylamine93919-56-360 % similar 1-Fluoro-4-(trifluoromethoxy)benzene352-67-057 % similar 1-Chloro-4-(trifluoromethoxy)benzene461-81-455 % similar 4-(Trifluoromethoxy)phenylacetonitrile49561-96-855 % similar 2-[4-(Trifluoromethoxy)phenyl]acetic acid4315-07-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-(trifluoromethyl)benzyl alcohol261763-20-6 [5-Chloro-2-(trifluoromethyl)phenyl]methanol261763-21-7 4-Chloro-3-(trifluoromethyl)anisole400-73-7 2-Chloro-4-(trifluoromethyl)benzenemethanol56456-51-0 2-Chloro-5-(trifluoromethyl)benzyl alcohol64372-62-9 4-Chloro-3-(trifluoromethyl)benzyl alcohol65735-71-9

Elsewhere

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