4-Bromo-3-fluorobenzotrifluoride

C₇H₃BrF₄CAS 40161-54-4243.00 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

H302 Harmful if swallowed11.1% of notifiers
H312 Harmful in contact with skin11.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled11.1% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

40161-54-4

SMILES

C1=CC(=C(C=C1C(F)(F)F)F)Br

InChIKey

XCTQZIUCYJVRLJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-Bromo-3-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

3-Bromo-4-fluorobenzotrifluoride68322-84-974 % similar 1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-265 % similar 1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-364 % similar 1-Bromo-2-chloro-4-(trifluoromethyl)benzene402-04-060 % similar 2-Bromo-5-(trifluoromethyl)phenol402-05-160 % similar 2-Bromo-5-trifluoromethylaniline454-79-560 % similar 1-Bromo-2-iodo-4-(trifluoromethyl)benzene640280-28-060 % similar 2,5-Bis(trifluoromethyl)bromobenzene7617-93-859 % 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 2-Bromo-5-fluorobenzotrifluoride40161-55-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook