3-Bromo-2-oxopropanoic acid | CAS No. 1113-59-3

3-Bromo-2-oxopropanoic acid

Basic Information

CAS Number

1113-59-3

Molecular Formula

C3H3BrO3

Molecular Weight

166.96 g/mol

AD

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

74.0 to 81.0 deg-C

Boiling Point

223.4°C at 760 mmHg

Water Solubility

Soluble in water, dimethyl sulfoxide, ethyl acetate and water.

Flash Point

88.9 °C

Solubility

water: soluble1g/10 mL, clear, colorless

Refractive Index

1.4650 (estimate)

C(C(=O)C(=O)O)Br

InChI

InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)

InChIKey

PRRZDZJYSJLDBS-UHFFFAOYSA-N

LogP

0.03500000000000009

Topological Polar Surface Area

54.37 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

98.4

Safety Information

View Safety Information

GHS Hazard Pictograms

H314H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

  • 1113-59-3
  • 3-Bromopyruvic acid hydrate,98
  • s5426
  • NSC782120
  • AKOS015892643
  • SCHEMBL8126
  • 3-bromo-2-keto-propionic acid
  • bromopyruvic acid
  • Bromopyruvic acid; 3-bromo-2-oxopropanoic acid
  • CHEMBL177837
  • EN300-67360
  • BRD-K92980438-001-01-7
  • 3-bromopyruvic acid
  • NSC11731
  • Hexokinase II Inhibitor II;3-BP
  • 3-bromopyruvicacid
  • BRN 1746786
  • Bromopyruvicacid
  • Bromopyruvic acid, >=97.0% (T)
  • Propanoic acid, 3-bromo-2-oxo-
  • NSC 62343
  • AM84337
  • 3-BP
  • NCIOpen2_000241
  • CCG-266336
  • AS-16146
  • CHEBI:95046
  • 3-bromo-2-oxo-propionic acid
  • bromopyruvate
  • Z1079181768
  • Pyruvic acid, bromo-

MDL Number

MFCD00002587

Customs Code

29183000

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