chempirical

4-(Trifluoromethoxy)benzyl chloride

C8H6ClF3OCAS 65796-00-1210.58 g/mol

Open in Covalent MOL file
ClOFFF
Alkyl halideEther

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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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