Ethyl bromopyruvate

C₅H₇BrO₃CAS 70-23-5195.01 g/mol

Open in Covalent MOL file

Alkyl halide Ester Ketone

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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage17.6% of notifiers
H315 Causes skin irritation82.4% of notifiers
H319 Causes serious eye irritation82.4% of notifiers
H335 May cause respiratory irritation82.4% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

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 2-(Bromomethyl)acrylic acid ethyl ester17435-72-260 % similar Ethyl 2-oxovalerate50461-74-059 % similar Diethyl oxalate95-92-158 % similar Methyl 3-bromopyruvate7425-63-057 % similar Diethyl oxalacetate108-56-557 % similar Ethyl 2,4-dioxovalerate615-79-255 % similar 1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook