4-Bromo-2-fluorobenzotrifluoride

C7H3BrF4CAS 142808-15-9243.00 g/mol

Open in Covalent MOL file
BrFFFF
Alkyl halideAryl 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 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, P501

Identifiers

CAS number
142808-15-9
SMILES
C1=CC(=C(C=C1Br)F)C(F)(F)F
InChIKey
OEPBVXQEVBURGC-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF4/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H

Weigh it out

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

Work with 4-Bromo-2-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

2,4-Difluorobenzotrifluoride64248-61-959 % similar 4-Bromo-2-chlorobenzotrifluoride467435-07-058 % similar 1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-257 % similar 1-Bromo-3,4-difluorobenzene348-61-856 % similar 4-Bromo-2,6-difluorobenzotrifluoride156243-64-055 % similar 4-Bromo-2-(trifluoromethyl)phenol50824-04-955 % similar 3-Fluoro-4-(trifluoromethyl)aniline69411-68-355 % similar 4-Chloro-2-fluorobenzotrifluoride94444-59-455 % 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 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 2-Bromo-5-fluorobenzotrifluoride40161-55-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook