2,3,4,5-Tetrafluorobenzyl bromide

C₇H₃BrF₄CAS 53001-71-1243.00 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃BrF₄
Molar mass: 243.00 g/mol
Exact mass: 241.9354 Da
logP: 3.14Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed28.6% of notifiers
H312 Harmful in contact with skin28.6% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H332 Harmful if inhaled28.6% of notifiers
H335 May cause respiratory irritation28.6% of notifiers

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

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

53001-71-1

SMILES

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

InChIKey

WTKVWOHBTGWNEO-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrF4/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1H,2H2

Weigh it out

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

Work with 2,3,4,5-Tetrafluorobenzyl 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

2,3,5-Trifluorobenzyl bromide226717-83-567 % similar 1-(Bromomethyl)-2,3,4-trifluorobenzene157911-55-263 % similar 2,4,5-Trifluorobenzyl bromide157911-56-358 % similar 2,3,4,5-Tetrafluorobenzenemethanol53072-18-757 % similar 3,4,5-Trifluorobenzyl bromide220141-72-056 % similar 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene53001-73-356 % similar Pentafluorobenzene363-72-452 % similar 2,3-Difluorobenzyl bromide113211-94-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-3-fluorobenzotrifluoride104540-42-3 3-Bromo-5-fluorobenzotrifluoride130723-13-6 4-Bromo-2-fluorobenzotrifluoride142808-15-9 3-Bromo-2-fluorobenzotrifluoride144584-67-8 1-Bromo-3-fluoro-2-(trifluoromethyl)benzene261951-85-3 2-Bromo-4-fluoro-1-(trifluoromethyl)benzene351003-21-9 5-Bromo-2-fluorobenzotrifluoride393-37-3 4-Bromo-3-fluorobenzotrifluoride40161-54-4

Elsewhere

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