2-Bromo-5-fluorobenzotrifluoride

C₇H₃BrF₄CAS 40161-55-5243.00 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: 3.61Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation99.1% of notifiers
H411 Toxic to aquatic life with long lasting effects92% of notifiers

Aggregated from 113 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

40161-55-5

SMILES

Fc1ccc(Br)c(C(F)(F)F)c1

InChIKey

AIDVAZGOACECLJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrF4/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H

Weigh it out

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

Names and synonyms

4 names

Benzene, 1-bromo-4-fluoro-2-(trifluoromethyl)-
1-Bromo-4-fluoro-2-(trifluoromethyl)benzene
1-Bromo-4-fluoro-2-trifluoromethylbenzene
2-Bromo-5-fluoro-1-(trifluoromethyl)benzene

Work with 2-Bromo-5-fluorobenzotrifluoride

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

1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-268 % similar 1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-362 % similar 1,4-Difluoro-2-(trifluoromethyl)benzene393-38-459 % similar 2-Bromo-5-methylbenzotrifluoride261952-20-958 % similar 4-Bromo-3-(trifluoromethyl)phenol320-49-058 % similar 1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-058 % similar 4-Bromo-3-(trifluoromethyl)aniline393-36-258 % similar 1,2-Dibromo-4-fluorobenzene2369-37-156 % 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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