Ethyl α-bromobutyrate
Properties
- Molecular formula
- C6H11BrO2
- Molar mass
- 195.06 g/mol
- Exact mass
- 193.9942 Da
- Density
- 1.3263 g/mL (at 11.5 °C)
- Melting point
- 142–144 °C
- Boiling point
- 177 °C
- logP
- 1.72Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Identifiers
CAS number
533-68-6SMILES
CCOC(=O)C(Br)CCInChIKey
XIMFCGSNSKXPBO-UHFFFAOYSA-NInChI
InChI=1S/C6H11BrO2/c1-3-5(7)6(8)9-4-2/h5H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Butanoic acid, 2-bromo-, ethyl ester
- Butyric acid, 2-bromo-, ethyl ester
- Butyric acid, α-bromo-, ethyl ester
- Ethyl 2-bromobutyrate
- Ethyl 2-bromobutanoate
- 2-Bromobutanoic acid ethyl ester
- 2-Bromobutyric acid ethyl ester
- NSC 8855
- Ethyl bromobutanoate
Work with Ethyl α-bromobutyrate
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
1,6-Diethyl 2,5-dibromohexanedioate869-10-374 % similar
Ethyl 2,3-dibromopropanoate3674-13-369 % similar
Ethyl α-bromovalerate615-83-867 % similar
Ethyl 2,4-dibromobutyrate36847-51-565 % similar
Ethyl 2-bromohexanoate615-96-363 % similar
Methyl 2-bromobutanoate3196-15-462 % similar
Methyl 2-bromobutanoate69043-96-562 % similar
1,3-Diethyl 2-ethylpropanedioate133-13-161 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds