3-Bromo-5-fluorobenzotrifluoride

C₇H₃BrF₄CAS 130723-13-6243.00 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

H226 Flammable liquid and vapor11.1% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% 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

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

130723-13-6

SMILES

C1=C(C=C(C=C1F)Br)C(F)(F)F

InChIKey

LIGBGEJPUQBLTG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-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-Bromo-3,5-bis(trifluoromethyl)benzene328-70-171 % similar 1,3-Dibromo-5-(trifluoromethyl)benzene401-84-371 % similar 1,3-Dibromo-5-fluorobenzene1435-51-458 % similar 1-Bromo-3,5-difluorobenzene461-96-158 % similar 3-Bromo-5-(trifluoromethyl)aniline54962-75-357 % similar 3-Bromo-5-(trifluoromethyl)toluene86845-28-557 % similar 1-Bromo-3-chloro-5-(trifluoromethyl)benzene928783-85-157 % similar 3-Fluoro-5-(trifluoromethyl)phenol172333-87-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-3-fluorobenzotrifluoride104540-42-3 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 2-Bromo-5-fluorobenzotrifluoride40161-55-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook