2,4,5-Trifluorobenzyl bromide

C₇H₄BrF₃CAS 157911-56-3225.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl 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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H290 May be corrosive to metals14.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H319 Causes serious eye irritation28.6% of notifiers
H335 May cause respiratory irritation14.3% of notifiers

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

Precautionary statements

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P337+P317, P363, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

157911-56-3

SMILES

C1=C(C(=CC(=C1F)F)F)CBr

InChIKey

GAUXEYCSWSMMFZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrF3/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2

Weigh it out

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

Work with 2,4,5-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

2,3,4,5-Tetrafluorobenzyl bromide53001-71-158 % similar 2,4-Difluorobenzyl bromide23915-07-356 % similar 2,5-Difluorobenzyl bromide85117-99-356 % similar 4-Bromo-2-fluorobenzyl bromide76283-09-554 % similar 2,4,5-Trifluorobenzyl alcohol144284-25-352 % similar 2,4,5-Trifluorobenzyl amine168644-93-752 % similar 1-(Chloromethyl)-2,4,5-trifluorobenzene243139-71-152 % similar 4-Chloro-2-fluorobenzyl bromide71916-82-052 % 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 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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