3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene

C₇H₃BrF₄CAS 53001-73-3243.00 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 swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage16.7% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H332 Harmful if inhaled16.7% of notifiers

Aggregated from 6 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+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

53001-73-3

SMILES

Fc1cc(F)c(F)c(CBr)c1F

InChIKey

QHZBSXQCGIQSID-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzene, 3-(bromomethyl)-1,2,4,5-tetrafluoro-
2,3,5,6-Tetrafluorobenzyl bromide

Work with 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene

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

2,3,6-Trifluorobenzyl bromide151412-02-164 % similar 3,4,5-Trifluorobenzyl bromide220141-72-060 % similar Pentafluorobenzyl bromide1765-40-859 % similar 2,3,4,5-Tetrafluorobenzyl bromide53001-71-156 % similar 2,4,6-Trifluorobenzyl bromide151411-98-254 % similar 2,3,5,6-Tetrafluorobenzyl alcohol4084-38-254 % similar 2,3,5-Trifluorobenzyl bromide226717-83-554 % similar 2,4,5-Trifluorobenzyl bromide157911-56-350 % 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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