1-(Bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene

C₈H₅BrF₄CAS 239087-07-1257.03 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
H319 Causes serious eye irritation14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, P501

Identifiers

CAS number

239087-07-1

SMILES

Fc1cc(C(F)(F)F)ccc1CBr

InChIKey

MQUCRCQNRDHRPL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzene, 1-(bromomethyl)-2-fluoro-4-(trifluoromethyl)-
2-Fluoro-4-trifluoromethylbenzyl bromide
2-Fluoro-4-(trifluoromethyl)benzyl bromide

Work with 1-(Bromomethyl)-2-fluoro-4-(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

2,4-Bis(trifluoromethyl)benzyl bromide140690-56-866 % similar 2-Fluoro-4-(trifluoromethyl)benzyl alcohol197239-49-964 % similar 2-Fluoro-4-(trifluoromethyl)benzylamine239087-05-964 % similar 2-(Bromomethyl)-1,4-bis(trifluoromethyl)benzene302911-98-461 % similar 2-Bromo-5-(trifluoromethyl)benzyl bromide875664-32-759 % similar 2-Fluoro-4-(trifluoromethyl)benzeneacetonitrile239087-11-758 % similar 2-(Bromomethyl)-1-chloro-4-(trifluoromethyl)benzene237761-77-257 % similar 2-(Bromomethyl)-1-iodo-4-(trifluoromethyl)benzene702641-06-357 % 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 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene239087-08-2 3-Fluoro-5-(trifluoromethyl)benzyl bromide239087-09-3 5-Fluoro-2-(trifluoromethyl)benzyl bromide239135-48-9

Elsewhere

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