Bromoacetic anhydride

C₄H₄Br₂O₃CAS 13094-51-4259.88 g/mol

Open in Covalent MOL file

Acid anhydride Alkyl halide

Properties

Molecular formula: C₄H₄Br₂O₃
Molar mass: 259.88 g/mol
Exact mass: 257.8527 Da
Melting point: 41–42 °C
Boiling point: 130–138 °C (at 12.3 Torr)
logP: 0.85Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

13094-51-4

SMILES

O=C(CBr)OC(=O)CBr

InChIKey

FUKOTTQGWQVMQB-UHFFFAOYSA-N

InChI

InChI=1S/C4H4Br2O3/c5-1-3(7)9-4(8)2-6/h1-2H2

Weigh it out

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

Names and synonyms

4 names

Acetic acid, 2-bromo-, 1,1′-anhydride
Acetic acid, bromo-, anhydride
2-Bromoacetyl 2-bromoacetate
2-Bromoacetic anhydride

Work with Bromoacetic anhydride

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′-(1,2-Ethanediyl) bis(2-bromoacetate)3785-34-060 % similar Methyl 2-bromoacetate96-32-257 % similar Ethyl bromoacetate105-36-252 % similar 1,4-Bis(bromoacetoxy)-2-butene20679-58-752 % similar Succinic anhydride108-30-550 % similar Trimethylsilyl bromoacetate18291-80-050 % similar Isopropyl bromoacetate29921-57-150 % similar tert-Butyl bromoacetate5292-43-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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