Methyl 2,3-dibromopropionate

C4H6Br2O2CAS 1729-67-5245.90 g/mol

Open in Covalent MOL file
OOBrBr
Alkyl halideEster

Properties

Molecular formula
C4H6Br2O2
Molar mass
245.90 g/mol
Exact mass
243.8735 Da
Density
1.9605 g/mL (at 0 °C)
Boiling point
206 °C
logP
1.32Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1729-67-5
SMILES
COC(=O)C(Br)CBr
InChIKey
ROXQOUUAPQUMLN-UHFFFAOYSA-N
InChI
InChI=1S/C4H6Br2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3

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Names and synonyms

8 names
  • Propanoic acid, 2,3-dibromo-, methyl ester
  • Propionic acid, 2,3-dibromo-, methyl ester
  • Methyl 2,3-dibromopropanoate
  • Methyl α,β-dibromopropionate
  • 2,3-Dibromopropionic acid methyl ester
  • (±)-2,3-Dibromopropionic acid methyl ester
  • 2,3-Dibromopropanoic acid methyl ester
  • NSC 9372

Work with Methyl 2,3-dibromopropionate

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

Dimethyl2,2'-dibromoadipate868-72-469 % similar Methyl 2,4-dibromobutyrate70288-65-266 % similar Methyl 2-bromobutanoate3196-15-464 % similar Methyl 2-bromobutanoate69043-96-564 % similar Ethyl 2,3-dibromopropanoate3674-13-360 % similar Methyl (R)-(+)-3-bromo-2-methylpropionate110556-33-759 % similar (S)-(-)-3-Bromoisobutyric acid methyl ester98190-85-359 % similar Methyl 2-bromohexanoate4554-19-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2E)-2,3-Dibromo-2-butene-1,4-diol21285-46-1 2,3-Dibromo-2-butene-1,4-diol3234-02-4 3-Bromo-2-(bromomethyl)propanoic acid41459-42-1 2,3-Dibromobutanoic acid600-30-6

Elsewhere

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