3-Bromo-4-fluorobenzotrifluoride

C7H3BrF4CAS 68322-84-9243.00 g/mol

Open in Covalent MOL file
FFFBrF
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)

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number
68322-84-9
SMILES
C1=CC(=C(C=C1C(F)(F)F)Br)F
InChIKey
RZJOIMPUMMQKFR-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H

Weigh it out

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

Work with 3-Bromo-4-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

1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-263 % similar 2,5-Bis(trifluoromethyl)bromobenzene7617-93-862 % similar 3-Bromo-4-chlorobenzotrifluoride454-78-458 % similar 2-Bromo-4-trifluoromethylaniline57946-63-158 % similar 2-Bromo-1-methyl-4-(trifluoromethyl)benzene66417-30-958 % similar 2-Bromo-4-(trifluoromethyl)phenol81107-97-358 % similar 1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-357 % similar 2-Fluoro-5-(trifluoromethyl)phenol141483-15-055 % 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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