chempirical

Ethyl 2,4-dibromobutyrate

C6H10Br2O2CAS 36847-51-5273.95 g/mol

Open in Covalent MOL file
OOBrBr
Alkyl halideEster

Properties

Molecular formula
C6H10Br2O2
Molar mass
273.95 g/mol
Exact mass
271.9048 Da
Density
1.6871 g/mL (at 20 °C)
Boiling point
149–150 °C (at 52 Torr)
logP
2.10Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
36847-51-5
SMILES
CCOC(=O)C(Br)CCBr
InChIKey
VNXZZPZKCMJBME-UHFFFAOYSA-N
InChI
InChI=1S/C6H10Br2O2/c1-2-10-6(9)5(8)3-4-7/h5H,2-4H2,1H3

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Names and synonyms

5 names
  • Butanoic acid, 2,4-dibromo-, ethyl ester
  • Butyric acid, 2,4-dibromo-, ethyl ester
  • Ethyl α,γ-dibromobutyrate
  • Ethyl 2,4-dibromobutanoate
  • NSC 60691

Work with Ethyl 2,4-dibromobutyrate

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

1,6-Diethyl 2,5-dibromohexanedioate869-10-379 % similar Ethyl α-bromovalerate615-83-871 % similar Ethyl 2,3-dibromopropanoate3674-13-368 % similar Ethyl 2-bromohexanoate615-96-367 % similar Ethyl α-bromobutyrate533-68-665 % similar Ethyl 2-bromotetradecanoate14980-92-863 % similar Ethyl 2-bromooctanoate5445-29-463 % similar Ethyl 2-bromo-2-cyclopropylacetate1200828-74-553 % similar

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

Same formula

Ethyl 2,3-dibromobutanoate609-11-0

Elsewhere

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