2-Bromobutanoyl bromide

C₄H₆Br₂OCAS 26074-52-2229.90 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide

Properties

Molecular formula: C₄H₆Br₂O
Molar mass: 229.90 g/mol
Exact mass: 227.8785 Da
Boiling point: 57–60 °C (at 10 Torr)
logP: 2.08Crippen 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 damage100% of notifiers
H335 May cause respiratory irritation90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

26074-52-2

SMILES

CCC(Br)C(=O)Br

InChIKey

HHKDBXNYWNUHPL-UHFFFAOYSA-N

InChI

InChI=1S/C4H6Br2O/c1-2-3(5)4(6)7/h3H,2H2,1H3

Weigh it out

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

Names and synonyms

4 names

Butanoyl bromide, 2-bromo-
Butyryl bromide, 2-bromo-
2-Bromobutyryl bromide
α-Bromobutyryl bromide

Work with 2-Bromobutanoyl bromide

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-Bromooctanoyl bromide106265-08-153 % similar (R)-2-Bromobutanoic acid2681-94-952 % similar 2-Bromobutyric acid80-58-052 % similar Methyl 2-bromobutanoate3196-15-448 % similar Methyl 2-bromobutanoate69043-96-548 % similar Ethyl α-bromobutyrate533-68-647 % similar 2-Bromopropionyl bromide563-76-842 % similar 2-Bromopentanoic acid584-93-034 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromoisobutyryl bromide20769-85-1 3,4-Dibromo-2-butanone25109-57-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook