(2E)-2,3-Dibromo-2-butene-1,4-diol

C₄H₆Br₂O₂CAS 21285-46-1245.90 g/mol

Open in Covalent MOL file

Alcohol Alkene Vinyl halide

Properties

Molecular formula: C₄H₆Br₂O₂
Molar mass: 245.90 g/mol
Exact mass: 243.8735 Da
Water solubility: 10–50 g/L (21.1 °C)
logP: 0.97Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H317 May cause an allergic skin reaction93.2% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

21285-46-1

SMILES

OC/C(Br)=C(Br)CO

InChIKey

MELXIJRBKWTTJH-ONEGZZNKSA-N

InChI

InChI=1S/C4H6Br2O2/c5-3(1-7)4(6)2-8/h7-8H,1-2H2/b4-3+

Weigh it out

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

Names and synonyms

6 names

2,3-Dibromo-2-butene-1,4-diol, (E)-
2-Butene-1,4-diol, 2,3-dibromo-, (2E)-
2-Butene-1,4-diol, 2,3-dibromo-, (E)-
trans-2,3-Dibromo-2-butene-1,4-diol
(2E)-2,3-Dibromobut-2-ene-1,4-diol
(E)-2,3-Dibromobut-2-ene-1,4-diol

Work with (2E)-2,3-Dibromo-2-butene-1,4-diol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,3-Dibromo-2-butene-1,4-diol3234-02-4

Similar compounds

2-Methylene-1,3-propanediol3513-81-341 % similar 1,2-Dibromocyclopentene75415-78-035 % similar Methallyl alcohol513-42-835 % similar Dihydroxyacetone96-26-433 % similar Polyglycolide26124-68-530 % similar 2-Hydroxyacetamide598-42-530 % similar Glycolic acid79-14-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2,3-dibromopropionate1729-67-5 3-Bromo-2-(bromomethyl)propanoic acid41459-42-1 2,3-Dibromobutanoic acid600-30-6

Elsewhere

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