Ethyl bromoacetate
Properties
- Molecular formula
- C4H7BrO2
- Molar mass
- 167.00 g/mol
- Exact mass
- 165.9629 Da
- Density
- 1.5032 g/mL (at 20 °C)
- Melting point
- 162 °C
- Boiling point
- 168.5 °C
- logP
- 0.94Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Identifiers
CAS number
105-36-2SMILES
CCOC(=O)CBrInChIKey
PQJJJMRNHATNKG-UHFFFAOYSA-NInChI
InChI=1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
14 names · show all
- Acetic acid, 2-bromo-, ethyl ester
- Acetic acid, bromo-, ethyl ester
- Antol
- Ethyl monobromoacetate
- Ethyl α-bromoacetate
- Bromoacetic acid ethyl ester
- Ethyl bromacetate
- (Ethoxycarbonyl)methyl bromide
- Ethyl 2-bromoacetate
- Ethyl bromoethanoate
- α-Bromoacetic acid ethyl ester
- Ethyl 2-bromoethanoate
- NSC 8832
- 2-Bromoacetic acid ethyl ester
Reactions
Work with Ethyl bromoacetate
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
Ethyl 4-bromoacetoacetate13176-46-067 % similar
Diethyl malonate105-53-361 % similar
1,1′-(1,2-Ethanediyl) bis(2-bromoacetate)3785-34-061 % similar
Ethyl propionate105-37-358 % similar
Diethyl glutarate818-38-258 % similar
Ethyl 5-bromovalerate14660-52-755 % similar
Ethyl chloroacetate105-39-554 % similar
Ethyl butyrate105-54-454 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds