chempirical

2-Bromoethyl acetate

C4H7BrO2CAS 927-68-4167.00 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
1.502 g/mL (at 23 °C)
Melting point
−13.8 °C
Boiling point
162.5 °C
logP
0.94Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
927-68-4
SMILES
CC(=O)OCCBr
InChIKey
RGHQKFQZGLKBCF-UHFFFAOYSA-N
InChI
InChI=1S/C4H7BrO2/c1-4(6)7-3-2-5/h2-3H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names
  • Ethanol, 2-bromo-, 1-acetate
  • Ethanol, 2-bromo-, acetate
  • Acetic acid 2-bromoethyl ester
  • 1-Bromo-2-acetoxyethane
  • 1-Acetoxy-2-bromoethane
  • 2-Acetoxyethyl bromide
  • NSC 7079
  • 2-Bromoethanol acetate

Work with 2-Bromoethyl acetate

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

4-Acetoxy-1-bromobutane4753-59-772 % similar 5-Bromopentyl acetate15848-22-369 % similar Glycol diacetate111-55-767 % similar 1,3-Diacetoxypropane628-66-061 % similar Butylene glycol diacetate628-67-161 % similar 1,8-Diacetoxy-3,6-dioxaoctane111-21-758 % similar Bromomethyl acetate590-97-658 % similar Hexylene glycol diacetate6222-17-958 % similar

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

Same formula

Ethyl bromoacetate105-36-2 Bromoisobutyric acid2052-01-9 4-Bromobutanoic acid2623-87-2 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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