chempirical

Ethyl bromopyruvate

C5H7BrO3CAS 70-23-5195.01 g/mol

Open in Covalent MOL file
OOOBr
Alkyl halideEsterKetone

Properties

Molecular formula
C5H7BrO3
Molar mass
195.01 g/mol
Exact mass
193.9579 Da
Density
1.561 g/mL (at 20 °C)
Boiling point
116–121 °C (at 27 Torr)
logP
0.51Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
70-23-5
SMILES
CCOC(=O)C(=O)CBr
InChIKey
VICYTAYPKBLQFB-UHFFFAOYSA-N
InChI
InChI=1S/C5H7BrO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3

Weigh it out

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

Names and synonyms

12 names
  • Propanoic acid, 3-bromo-2-oxo-, ethyl ester
  • Pyruvic acid, bromo-, ethyl ester
  • β-Bromopyruvic acid ethyl ester
  • Ethyl 3-bromopyruvate
  • Bromopyruvic acid ethyl ester
  • Ethyl α-bromopyruvate
  • 3-Bromopyruvic acid ethyl ester
  • Ethyl 3-bromo-2-oxopropanoate
  • Ethyl 3-bromo-2-oxopropionate
  • 3-Bromo-2-oxopropanoic acid ethyl ester
  • NSC 62182
  • 3-Bromo-2-(oxo)propionic acid ethyl ester

Work with Ethyl bromopyruvate

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

Ethyl 2-oxobutanoate15933-07-063 % similar Ethyl 2-oxopentanoate50461-74-059 % similar Diethyl oxalacetate108-56-557 % similar 1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-454 % similar Ethyl bromoacetate105-36-254 % similar Ethyl 2,4-dioxohexanoate13246-52-153 % similar Ethyl 7-chloro-2-oxoheptanoate78834-75-049 % similar Ethyl α-oxobenzenebutanoate64920-29-247 % similar

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

Elsewhere

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