2,4,6-Trifluorobenzyl bromide

C7H4BrF3CAS 151411-98-2225.01 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)Acute Toxic (GHS06)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number
151411-98-2
SMILES
C1=C(C=C(C(=C1F)CBr)F)F
InChIKey
SPPLWANVCVTGEQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrF3/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2

Weigh it out

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Work with 2,4,6-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

2,6-Difluorobenzyl bromide85118-00-956 % similar 2,4,6-Trifluorobenzyl alcohol118289-07-954 % similar 2,4,6-Trifluorobenzylamine214759-21-454 % similar 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene53001-73-354 % similar 2,4-Difluorobenzyl bromide23915-07-354 % similar 3,5-Difluorobenzyl bromide141776-91-252 % similar 2,4,6-Trifluorophenylacetonitrile220227-80-548 % similar 2,5-Difluorobenzyl bromide85117-99-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,6-Trifluorobenzyl bromide151412-02-1 1-(Bromomethyl)-2,3,4-trifluorobenzene157911-55-2 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

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