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Substance Name: Propanedioic acid, 2-bromo-, 1,3-diethyl ester
RN: 685-87-0
InChIKey: FNJVDWXUKLTFFL-UHFFFAOYSA-N

Molecular Formula

  • C7-H11-Br-O4

Molecular Weight

  • 239.064
 
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Names and Synonyms

Synonyms

  • AI3-01376
  • alpha-Bromomalonic ester
  • Bromomalonic acid diethyl ester
  • Diethyl 2-bromomalonate
  • Diethyl bromomalonate
  • EINECS 211-683-1
  • Ethyl bromomalonate
  • Malonic acid, bromo-, diethyl ester
  • NSC 1985

Systematic Names

  • Diethyl bromomalonate
  • Propanedioic acid, 2-bromo-, 1,3-diethyl ester
  • Propanedioic acid, bromo-, diethyl ester

Registry Numbers

CAS Registry Number

  • 685-87-0

Other Registry Number

  • 201742-85-0

System Generated Number

  • 0000685870

Structure Descriptors

InChI

1S/C7H11BrO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3

InChIKey

FNJVDWXUKLTFFL-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.40E+01 deg C   EXP
log P (octanol-water) 1.170 (none)   EST
Atmospheric OH Rate Constant 2.25E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.