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

C8H5BrF4CAS 220239-69-0257.03 g/mol

Open in Covalent MOL file
FFFFBr
Alkyl halideAryl 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 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, P501

Identifiers

CAS number
220239-69-0
SMILES
Fc1ccc(C(F)(F)F)cc1CBr
InChIKey
BYRMZRWUEAESEZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrF4/c9-4-5-3-6(8(11,12)13)1-2-7(5)10/h1-3H,4H2

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 2-(bromomethyl)-1-fluoro-4-(trifluoromethyl)-
  • 2-Fluoro-5-trifluoromethylbenzyl bromide
  • 2-Bromomethyl-1-fluoro-4-trifluoromethylbenzene

Work with 2-(Bromomethyl)-1-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-(Bromomethyl)-1,4-bis(trifluoromethyl)benzene302911-98-466 % similar 2-Fluoro-5-(trifluoromethyl)benzylamine199296-61-264 % similar 2-Fluoro-5-(trifluoromethyl)benzyl alcohol207974-09-264 % similar 2-Bromo-5-(trifluoromethyl)benzyl bromide875664-32-764 % similar 2-(Bromomethyl)-1-chloro-4-(trifluoromethyl)benzene237761-77-262 % similar 2-(Bromomethyl)-1-iodo-4-(trifluoromethyl)benzene702641-06-362 % similar 2,4-Bis(trifluoromethyl)benzyl bromide140690-56-861 % similar 2-Fluoro-5-(trifluoromethyl)phenylacetonitrile220227-59-858 % 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 1-(Bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene239087-07-1 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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