2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene

C₈H₅BrF₄CAS 239087-08-2257.03 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₅BrF₄
Molar mass: 257.03 g/mol
Exact mass: 255.9511 Da
logP: 3.74Crippen 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 47 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

239087-08-2

SMILES

Fc1cccc(C(F)(F)F)c1CBr

InChIKey

RINUERVPFANASB-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrF4/c9-4-5-6(8(11,12)13)2-1-3-7(5)10/h1-3H,4H2

Weigh it out

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

Names and synonyms

2 names

Benzene, 2-(bromomethyl)-1-fluoro-3-(trifluoromethyl)-
2-Fluoro-6-(trifluoromethyl)benzyl bromide

Work with 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)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

2,6-Difluorobenzyl bromide85118-00-964 % similar 2-Fluoro-6-(trifluoromethyl)benzyl alcohol152211-15-964 % similar 2-Fluoro-6-(trifluoromethyl)benzylamine239087-06-064 % similar 2-Fluoro-6-(trifluoromethyl)phenylacetonitrile179946-34-058 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-558 % similar 2-Bromo-3-fluorobenzotrifluoride104540-42-355 % similar 2-Chloro-6-fluorobenzyl bromide68220-26-855 % similar 2-Fluoro-6-(trifluoromethyl)phenylacetic acid179946-32-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(Bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene184970-25-0 4-(Bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene184970-26-1 4-Fluoro-2-(trifluoromethyl)benzyl bromide206860-48-2 4-(Bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene213203-65-7 2-(Bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene220239-69-0 1-(Bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene239087-07-1 3-Fluoro-5-(trifluoromethyl)benzyl bromide239087-09-3 5-Fluoro-2-(trifluoromethyl)benzyl bromide239135-48-9

Elsewhere

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