chempirical

1,4-Bis(bromoacetoxy)-2-butene

C8H10Br2O4CAS 20679-58-7329.97 g/mol

Open in Covalent MOL file
OBrOOOBr
AlkeneAlkyl halideEster

Properties

Molecular formula
C8H10Br2O4
Molar mass
329.97 g/mol
Exact mass
327.8946 Da
Boiling point
135–136 °C
logP
1.42Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Identifiers

CAS number
20679-58-7
SMILES
O=C(CBr)OCC=CCOC(=O)CBr
InChIKey
SIHKVAXULDBIIY-UHFFFAOYSA-N
InChI
InChI=1S/C8H10Br2O4/c9-5-7(11)13-3-1-2-4-14-8(12)6-10/h1-2H,3-6H2

Weigh it out

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

Names and synonyms

12 names
  • Acetic acid, 2-bromo-, 1,1′-(2-butene-1,4-diyl) ester
  • Acetic acid, bromo-, 2-butenylene ester
  • Acetic acid, bromo-, 2-butene-1,4-diyl ester
  • 2-Butene-1,4-diol, bis(bromoacetate)
  • Slimacide V 10
  • Fennosan F 50
  • Slimicide BBAB
  • Busan 1210
  • B 14
  • NSC 23989
  • BBAB
  • 2-Butene-1,4-diyl bis(bromoacetate)

Work with 1,4-Bis(bromoacetoxy)-2-butene

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

1,1′-(1,2-Ethanediyl) bis(2-bromoacetate)3785-34-061 % similar Ethyl bromoacetate105-36-254 % similar Bromoacetic anhydride13094-51-452 % similar 1,1′-(2-Butene-1,4-diyl) dibutanoate1572-84-550 % similar Methyl 2-bromoacetate96-32-246 % similar trans-2-Hexenyl butyrate53398-83-744 % similar Benzyl bromoacetate5437-45-644 % similar Trimethylsilyl bromoacetate18291-80-041 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook