1-(Bromomethyl)-3-(trifluoromethoxy)benzene

C₈H₆BrF₃OCAS 159689-88-0255.03 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

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

159689-88-0

SMILES

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

InChIKey

QSIVWRRHVXSDNE-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrF3O/c9-5-6-2-1-3-7(4-6)13-8(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

3-(Trifluoromethoxy)benzyl bromide

Work with 1-(Bromomethyl)-3-(trifluoromethoxy)benzene

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-(Trifluoromethoxy)benzyl alcohol50823-90-065 % similar 3-(Trifluoromethoxy)benzylamine93071-75-165 % similar 2-(3-(Trifluoromethoxy)phenyl)acetonitrile108307-56-859 % similar 3-(Trifluoromethoxy)phenylacetic Acid203302-97-056 % similar 1-Bromo-3-(trifluoromethoxy)benzene2252-44-056 % similar 3-Phenoxybenzyl bromide51632-16-756 % similar 3-Methoxybenzyl bromide874-98-656 % similar 3-(Difluoromethoxy)benzyl bromide72768-95-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1-methoxy-2-(trifluoromethyl)benzene1514-11-0 2-(Trifluoromethoxy)benzyl bromide198649-68-2 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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