3',5'-Bis(trifluoromethyl)-2-bromoacetophenone

C₁₀H₅BrF₆OCAS 131805-94-2335.04 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₀H₅BrF₆O
Molar mass: 335.04 g/mol
Exact mass: 333.9428 Da
logP: 4.30Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

131805-94-2

SMILES

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

InChIKey

ZEKBFXJTIAEUOF-UHFFFAOYSA-N

InChI

InChI=1S/C10H5BrF6O/c11-4-8(18)5-1-6(9(12,13)14)3-7(2-5)10(15,16)17/h1-3H,4H2

Weigh it out

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

Names and synonyms

1 names

3,5-Bis(trifluoromethyl)phenacyl bromide

Work with 3',5'-Bis(trifluoromethyl)-2-bromoacetophenone

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-(trifluoromethyl)phenyl]ethanone2003-10-371 % similar 2-Bromo-4'-(trifluoromethyl)acetophenone383-53-969 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]-1-propanone85068-34-464 % similar 2,6-Dichloro-4-(trifluoromethyl)phenacyl bromide175205-89-763 % similar 3,3',5,5'-Tetrakis(trifluoromethyl)benzophenone175136-66-055 % similar 2-Bromo-4'-fluoro-3'-(trifluoromethyl)acetophenone537050-14-954 % similar 3'-Fluoro-5'-(trifluoromethyl)propiophenone207974-20-751 % similar 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one30071-93-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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