2-Bromo-4'-fluoro-3'-(trifluoromethyl)acetophenone

C₉H₅BrF₄OCAS 537050-14-9285.04 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₉H₅BrF₄O
Molar mass: 285.04 g/mol
Exact mass: 283.9460 Da
logP: 3.42Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H290 May be corrosive to metals33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, P501

Identifiers

CAS number

537050-14-9

SMILES

C1=CC(=C(C=C1C(=O)CBr)C(F)(F)F)F

InChIKey

BUNOSKWLVXNWEH-UHFFFAOYSA-N

InChI

InChI=1S/C9H5BrF4O/c10-4-8(15)5-1-2-7(11)6(3-5)9(12,13)14/h1-3H,4H2

Weigh it out

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

Names and synonyms

1 names

4-Fluoro-3-(trifluoromethyl)phenacyl bromid

Work with 2-Bromo-4'-fluoro-3'-(trifluoromethyl)acetophenone

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-Bromo-1-(3,4-difluorophenyl)ethan-1-one40706-98-767 % similar 2-Bromo-4'-(trifluoromethyl)acetophenone383-53-958 % similar 4'-Fluoro-3'-(trifluoromethyl)acetophenone208173-24-457 % similar 4-Fluoro-3-(trifluoromethyl)benzoic acid67515-55-357 % similar 4-Fluoro-3-(trifluoromethyl)benzoyl chloride67515-56-457 % similar 2-Bromo-1-[3-(trifluoromethyl)phenyl]ethanone2003-10-356 % similar 3',5'-Bis(trifluoromethyl)-2-bromoacetophenone131805-94-254 % similar 2-(Trifluoromethyl)phenacyl bromide54109-16-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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