2-Trifluoromethylbenzyl bromide

C₈H₆BrF₃CAS 395-44-8239.04 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₆BrF₃
Molar mass: 239.04 g/mol
Exact mass: 237.9605 Da
Boiling point: 72 °C (at 7.5 Torr)
logP: 3.60Crippen 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

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

395-44-8

SMILES

FC(F)(F)c1ccccc1CBr

InChIKey

TXVVVEUSVBLDED-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrF3/c9-5-6-3-1-2-4-7(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

5 names

Benzene, 1-(bromomethyl)-2-(trifluoromethyl)-
o-Xylene, α′-bromo-α,α,α-trifluoro-
1-(Bromomethyl)-2-(trifluoromethyl)benzene
α′-Bromo-α,α,α-trifluoro-o-xylene
o-(Trifluoromethyl)benzyl bromide

Work with 2-Trifluoromethylbenzyl 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

1-(Bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene184970-25-067 % similar 1-(Bromomethyl)-2-methyl-3-(trifluoromethyl)benzene261952-16-365 % similar 2-Trifluoromethylbenzyl chloride21742-00-759 % similar 2-(Trifluoromethyl)benzylamine3048-01-959 % similar 2-(Trifluoromethyl)benzylic alcohol346-06-559 % similar 2,4-Bis(trifluoromethyl)benzyl bromide140690-56-858 % similar 2-(Bromomethyl)-1,4-bis(trifluoromethyl)benzene302911-98-458 % similar 2-(Trifluoromethyl)benzeneacetonitrile3038-47-957 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-5-methylbenzotrifluoride261952-20-9 3-(Trifluoromethyl)benzyl bromide402-23-3 4-(Trifluoromethyl)benzyl bromide402-49-3 2-Bromo-1-methyl-4-(trifluoromethyl)benzene66417-30-9 2-Methyl-3-(trifluoromethyl)bromobenzene69902-83-6 4-Methyl-3-(trifluoromethyl)bromobenzene86845-27-4 3-Bromo-5-(trifluoromethyl)toluene86845-28-5

Elsewhere

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