2,3-Dibromopropanoyl chloride

C₃H₃Br₂ClOCAS 18791-02-1250.31 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide

Properties

Molecular formula: C₃H₃Br₂ClO
Molar mass: 250.31 g/mol
Exact mass: 247.8239 Da
logP: 1.91Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed97.9% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation87.2% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number

18791-02-1

SMILES

O=C(Cl)C(Br)CBr

InChIKey

HWKWYDXHMQQDQJ-UHFFFAOYSA-N

InChI

InChI=1S/C3H3Br2ClO/c4-1-2(5)3(6)7/h2H,1H2

Weigh it out

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

Names and synonyms

4 names

Propanoyl chloride, 2,3-dibromo-
Propionyl chloride, 2,3-dibromo-
2,3-Dibromopropionyl chloride
α,β-Dibromopropionyl chloride

Work with 2,3-Dibromopropanoyl chloride

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-Bromohexanoyl chloride42768-46-750 % similar 3,4-Dibromo-2-butanone25109-57-348 % similar 2,3-Dibromopropionic acid600-05-548 % similar Methyl 2,3-dibromopropionate1729-67-543 % similar 2-Bromopropanoyl chloride7148-74-541 % similar Ethyl 2,3-dibromopropanoate3674-13-341 % similar Cyclopropanecarbonyl chloride4023-34-140 % similar 2,3-Dibromopropionamide15102-42-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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