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Substance Name: 2-Propanone, hexafluoro-, trihydrate
RN: 34202-69-2
InChIKey: SNZAEUWCEHDROX-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Reproductive Effect

Molecular Formula

  • C3-F6-O.3H2-O

Molecular Weight

  • 220.064
 
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Names and Synonyms

Synonyms

  • Acetone, hexafluoro-, trihydrate
  • GC 7787
  • Hexafluoroacetone trihydrate
  • HFA

Systematic Name

  • 2-Propanone, hexafluoro-, trihydrate

Registry Numbers

CAS Registry Number

  • 34202-69-2

Related Registry Number

  • 684-16-2 (Parent)

System Generated Number

  • 0034202692

Molecular Formulas

Molecular Formula

  • C3-F6-O.3H2-O

Molecular Formula Fragments

  • C3-F6-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C3F6O.3H2O/c4-2(5,6)1(10)3(7,8)9;;;/h;3*1H2

InChIKey

SNZAEUWCEHDROX-UHFFFAOYSA-N

Smiles

C(C(C(F)(F)F)=O)(F)(F)F.O.O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 113mg/kg (113mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE
Toxicology and Applied Pharmacology. Vol. 7, Pg. 592, 1965.
rat LD50 oral 190mg/kg (190mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Toxicology and Applied Pharmacology. Vol. 7, Pg. 592, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 18-21 deg C   EXP
log P (octanol-water) 0.600 (none)   EST
Water Solubility 3640 mg/L 25 EST
Vapor Pressure 5070 mm Hg 25 EXP
Henry's Law Constant 3.07E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 0.0 cm3/molecule-sec 25 EST

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