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Substance Name: Acetic acid, 2,2,2-tribromoethyl ester
RN: 599-99-5
InChIKey: MPDSFYNQRZIBCO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C4-H5-Br3-O2

Molecular Weight

  • 324.793
 
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Names and Synonyms

Synonyms

  • 3-02-00-00485 (Beilstein Handbook Reference)
  • Acetic acid, ester with tribromoethanol
  • BRN 1762051
  • Ethyl tribromoacetate
  • Tribromoethyl acetate

Systematic Name

  • Acetic acid, 2,2,2-tribromoethyl ester

Registry Numbers

CAS Registry Number

  • 599-99-5

System Generated Number

  • 0000599995

Structure Descriptors

InChI

1S/C4H5Br3O2/c1-3(8)9-2-4(5,6)7/h2H2,1H3

InChIKey

MPDSFYNQRZIBCO-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 1500mg/kg (1500mg/kg) BEHAVIORAL: SLEEP Journal of Pharmacology and Experimental Therapeutics. Vol. 63, Pg. 183, 1938.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 225 deg C   EXP
log P (octanol-water) 2.490 (none)   EST
Atmospheric OH Rate Constant 5.04E-13 cm3/molecule-sec 25 EST

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