1,1-Dibromo-3,3,3-trifluoroacetone

C₃HBr₂F₃OCAS 431-67-4269.84 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₃HBr₂F₃O
Molar mass: 269.84 g/mol
Exact mass: 267.8346 Da
logP: 2.23Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H290 May be corrosive to metals18.2% of notifiers
H302 Harmful if swallowed18.2% of notifiers
H312 Harmful in contact with skin18.2% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage18.2% of notifiers
H332 Harmful if inhaled18.2% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P390, P405, P406, P501

Identifiers

CAS number

431-67-4

SMILES

C(C(=O)C(F)(F)F)(Br)Br

InChIKey

HEPPAPZASXFWTB-UHFFFAOYSA-N

InChI

InChI=1S/C3HBr2F3O/c4-2(5)1(9)3(6,7)8/h2H

Weigh it out

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

Work with 1,1-Dibromo-3,3,3-trifluoroacetone

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-Bromo-1,1,1-trifluorobutan-2-one382-01-456 % similar 1,1,1,3,5,5,5-Heptafluoropentane-2,4-dione77968-17-352 % similar 3-Bromo-1,1,1-trifluoro-2-propanone431-35-638 % similar Hexafluoroacetylacetone1522-22-138 % similar 1,1,3,3-Tetrabromoacetone22612-89-136 % similar Hexafluoroacetone684-16-236 % similar Ethyl 2-methyl-4,4,4-trifluoroacetoacetate344-00-335 % similar 1,1,3-Tribromo-2-propanone3475-39-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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