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Substance Name: Propanoic acid, 2,3-dibromo-, ethyl ester
RN: 3674-13-3
InChIKey: OENICUBCLXKLJQ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C5-H8-Br2-O2

Molecular Weight

  • 259.924
 
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Names and Synonyms

Synonyms

  • AI3-14683
  • EINECS 222-941-8
  • Ethyl 2,3-dibromopropanoate
  • Ethyl 2,3-dibromopropionate
  • Ethyl alpha,beta-dibromopropionate
  • NSC 60552
  • Propanoic acid, 2,3-dibromo-, ethyl ester
  • Propionic acid, 2,3-dibromo-, ethyl ester

Systematic Names

  • Ethyl 2,3-dibromopropionate
  • Propanoic acid, 2,3-dibromo-, ethyl ester
  • Propionic acid, 2,3-dibromo-, ethyl ester (6CI,7CI,8CI)

Registry Numbers

CAS Registry Number

  • 3674-13-3

Other Registry Number

  • 131699-99-5

System Generated Number

  • 0003674133

Structure Descriptors

InChI

1S/C5H8Br2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3

InChIKey

OENICUBCLXKLJQ-UHFFFAOYSA-N

Smiles

C([C@@H](Br)CBr)(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 230mg/kg (230mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0544741,
rat LD50 oral 240mg/kg (240mg/kg)   National Technical Information Service. Vol. OTS0544741,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 214.5 deg C   EXP
log P (octanol-water) 1.970 (none)   EST
Atmospheric OH Rate Constant 1.30E-12 cm3/molecule-sec 25 EST

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