Bromoacetyl bromide

C₂H₂Br₂OCAS 598-21-0201.84 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide

Properties

Molecular formula: C₂H₂Br₂O
Molar mass: 201.84 g/mol
Exact mass: 199.8472 Da
Density: 2.317 g/mL (at 20 °C)
Boiling point: 148.5 °C
logP: 1.30Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage19.2% of notifiers

Aggregated from 73 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

598-21-0

SMILES

O=C(Br)CBr

InChIKey

LSTRKXWIZZZYAS-UHFFFAOYSA-N

InChI

InChI=1S/C2H2Br2O/c3-1-2(4)5/h1H2

Weigh it out

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

Names and synonyms

5 names

Acetyl bromide, 2-bromo-
Acetyl bromide, bromo-
2-Bromoacetyl bromide
Monobromoacetyl bromide
α-Bromoacetyl bromide

Work with Bromoacetyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Propanoyl bromide598-22-145 % similar 1,4-Dibromo-2,3-butanedione6305-43-744 % similar 1,3-Dibromo-2-propanone816-39-744 % similar Bromoacetic anhydride13094-51-438 % similar Bromoacetyl chloride22118-09-838 % similar Bromoacetone598-31-238 % similar Bromoacetic acid79-08-338 % similar 1,4-Dibromo-2,3-bis(bromomethyl)-2-butene30432-16-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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