3,4,5-Trifluorobenzyl bromide

C7H4BrF3CAS 220141-72-0225.01 g/mol

Open in Covalent MOL file
FBrFF
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
220141-72-0
SMILES
Fc1cc(CBr)cc(F)c1F
InChIKey
MPEKZIYOLQCWLL-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrF3/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2H,3H2

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Names and synonyms

2 names
  • Benzene, 5-(bromomethyl)-1,2,3-trifluoro-
  • 5-(Bromomethyl)-1,2,3-trifluorobenzene

Work with 3,4,5-Trifluorobenzyl 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

3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene53001-73-360 % similar 3,4-Difluorobenzyl bromide85118-01-058 % similar 2,3,4,5-Tetrafluorobenzyl bromide53001-71-156 % similar 3,4,5-Trifluorobenzenemethanol220227-37-254 % similar 3,4,5-Trifluorobenzenemethanamine235088-69-454 % similar 1,3,5-Tris(bromomethyl)benzene18226-42-152 % similar 3,5-Difluorobenzyl bromide141776-91-252 % similar 1-Bromo-4-(bromomethyl)-2-fluorobenzene127425-73-452 % 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 1-(Bromomethyl)-2,3,4-trifluorobenzene157911-55-2 2,4,5-Trifluorobenzyl bromide157911-56-3 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

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