2-(Trifluoromethoxy)benzyl bromide

C₈H₆BrF₃OCAS 198649-68-2255.03 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₈H₆BrF₃O
Molar mass: 255.03 g/mol
Exact mass: 253.9554 Da
logP: 3.48Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H290 May be corrosive to metals16.7% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage16.7% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 6 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

198649-68-2

SMILES

C1=CC=C(C(=C1)CBr)OC(F)(F)F

InChIKey

TUNSVUOTVLWNQT-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrF3O/c9-5-6-3-1-2-4-7(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 2-(Trifluoromethoxy)benzyl bromide

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-(Trifluoromethoxy)phenyl)methanamine175205-64-863 % similar 2-(Trifluoromethoxy)benzenemethanol175278-07-663 % similar 2-Triflnoromethoxybenzyl cyanide137218-25-859 % similar 2-(Trifluoromethoxy)bromobenzene64115-88-455 % similar 2-(Trifluoromethoxy)benzeneacetic acid220239-67-854 % similar 2-(Difluoromethoxy)benzyl bromide85684-64-653 % similar 1-Fluoro-2-(trifluoromethoxy)benzene2106-18-552 % similar 2-Trifluoromethoxyaniline1535-75-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1-methoxy-2-(trifluoromethyl)benzene1514-11-0 1-(Bromomethyl)-3-(trifluoromethoxy)benzene159689-88-0 1-Bromo-4-methoxy-2-(trifluoromethyl)benzene400-72-6 4-Trifluoromethoxybenzyl bromide50824-05-0 2-Bromo-5-(trifluoromethyl)benzyl alcohol869725-53-1

Elsewhere

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