2-Bromo-4'-(trifluoromethyl)acetophenone

C₉H₆BrF₃OCAS 383-53-9267.05 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₉H₆BrF₃O
Molar mass: 267.05 g/mol
Exact mass: 265.9554 Da
Melting point: 47–50 °C
logP: 3.28Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation92.9% of notifiers
H319 Causes serious eye irritation92.9% of notifiers
H335 May cause respiratory irritation92.9% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

383-53-9

SMILES

O=C(CBr)c1ccc(C(F)(F)F)cc1

InChIKey

HEMROKPXTCOASZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H6BrF3O/c10-5-8(14)6-1-3-7(4-2-6)9(11,12)13/h1-4H,5H2

Weigh it out

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

Names and synonyms

10 names

2-Bromo-1-[4-(trifluoromethyl)phenyl]ethanone
Ethanone, 2-bromo-1-[4-(trifluoromethyl)phenyl]-
Acetophenone, 2-bromo-4′-(trifluoromethyl)-
2-Bromo-4′-(trifluoromethyl)acetophenone
4-(Trifluoromethyl)phenacyl bromide
1-(2-Bromo-1-oxoethyl)-4-trifluoromethylbenzene
2-Bromo-1-[4-(trifluoromethyl)phenyl]ethan-1-one
NSC 277303
p-(Trifluoromethyl)phenacyl bromide
α-Bromo-p-(trifluoromethyl)acetophenone

Work with 2-Bromo-4'-(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

3',5'-Bis(trifluoromethyl)-2-bromoacetophenone131805-94-269 % similar p-Trifluoromethylpropiophenone711-33-164 % similar 1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-760 % similar 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-259 % similar 4-(Trifluoromethoxy)phenacyl bromide103962-10-358 % similar 2-Bromo-4'-fluoro-3'-(trifluoromethyl)acetophenone537050-14-958 % similar 4-Bromophenacyl bromide99-73-056 % similar Phenacyl bromide70-11-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Bromo-1-[3-(trifluoromethyl)phenyl]ethanone2003-10-3 2-(Trifluoromethyl)phenacyl bromide54109-16-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook