1-(Bromomethyl)-2,3,4-trifluorobenzene

C7H4BrF3CAS 157911-55-2225.01 g/mol

Open in Covalent MOL file
BrFFF
Alkyl halideAryl halide

Properties

Molecular formula
C7H4BrF3
Molar mass
225.01 g/mol
Exact mass
223.9448 Da
logP
3.00Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

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
157911-55-2
SMILES
C1=CC(=C(C(=C1CBr)F)F)F
InChIKey
DGSXDQVPGXFOAN-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrF3/c8-3-4-1-2-5(9)7(11)6(4)10/h1-2H,3H2

Weigh it out

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

Names and synonyms

1 names
  • 2,3,4-Trifluorobenzyl bromide

Work with 1-(Bromomethyl)-2,3,4-trifluorobenzene

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

2,3-Difluorobenzyl bromide113211-94-269 % similar 2,3,4,5-Tetrafluorobenzyl bromide53001-71-163 % similar 2,3,4-Trifluorobenzyl alcohol144284-24-257 % similar 2,3,4-Trifluorobenzylamine235088-67-257 % similar 1,2,3,4-Tetrafluorobenzene551-62-255 % similar 2,3,4-Trifluorophenylacetonitrile243666-13-952 % similar 1-Bromo-3-(bromomethyl)-2-fluorobenzene149947-16-050 % similar 2,4-Difluorobenzyl bromide23915-07-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,6-Trifluorobenzyl bromide151411-98-2 2,3,6-Trifluorobenzyl bromide151412-02-1 2,4,5-Trifluorobenzyl bromide157911-56-3 3,4,5-Trifluorobenzyl bromide220141-72-0 2,3,5-Trifluorobenzyl bromide226717-83-5 1-Bromo-2-(trifluoromethyl)benzene392-83-6 1-Bromo-3-(trifluoromethyl)benzene401-78-5 1-Bromo-4-(trifluoromethyl)benzene402-43-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook