Ethyl bromoacetate

C4H7BrO2CAS 105-36-2167.00 g/mol

Open in Covalent MOL file
OOBr
Alkyl halideEster

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
Flash point
47.8 °C (closed cup)
Water solubility
miscible
logP
0.94Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)

Harmonised EU classification (CLP Annex VI, index 607-069-00-1), via PubChem.

Precautionary statements

P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number
105-36-2
SMILES
CCOC(=O)CBr
InChIKey
PQJJJMRNHATNKG-UHFFFAOYSA-N
InChI
InChI=1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3

Weigh 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 Propyl bromoacetate35223-80-462 % similar Ethyl 3-bromopropionate539-74-262 % similar Diethyl malonate105-53-361 % similar Diethyl succinate123-25-161 % similar 1,1′-(1,2-Ethanediyl) bis(2-bromoacetate)3785-34-061 % similar Ethyl propionate105-37-358 % similar Diethyl glutarate818-38-258 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Bromoisobutyric acid2052-01-9 4-Bromobutanoic acid2623-87-2 (R)-2-Bromobutanoic acid2681-94-9 Methyl 3-bromopropanoate3395-91-3 1-Bromoethyl acetate40258-78-4 2-(Bromomethyl)-1,3-dioxolane4360-63-8 Methyl 2-bromopropanoate5445-17-0 2-Bromobutyric acid80-58-0

Elsewhere

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