1,1,3,3-Tetrabromoacetone

C₃H₂Br₄OCAS 22612-89-1373.66 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₃H₂Br₄O
Molar mass: 373.66 g/mol
Exact mass: 369.6839 Da
logP: 2.79Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

22612-89-1

SMILES

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

InChIKey

SAMNBOHOBWEEEU-UHFFFAOYSA-N

InChI

InChI=1S/C3H2Br4O/c4-2(5)1(8)3(6)7/h2-3H

Weigh it out

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

Work with 1,1,3,3-Tetrabromoacetone

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

1,1,3-Tribromo-2-propanone3475-39-638 % similar 1,1-Dibromo-3,3,3-trifluoroacetone431-67-436 % similar Dicyclopropyl ketone1121-37-533 % similar Diisopropyl ketone565-80-033 % similar 1,1,3,3-Tetrachloropropanone632-21-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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