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Basic Information
CAS No.: 10543-95-0
Name: HEXAFLUORO-2-PROPANONE MONOHYDRATE
Molecular Structure:
Molecular Structure of 10543-95-0 (HEXAFLUORO-2-PROPANONE MONOHYDRATE)
Formula: C3F6 O . H2 O
Molecular Weight: 184.05
Synonyms: 2-Propanone,1,1,1,3,3,3-hexafluoro-, monohydrate (8CI,9CI)
Density: 1.496g/cm3
Melting Point: -125.45oC @ 101.3 kPa
Boiling Point: 234.3°Cat760mmHg
Flash Point: 104.3°C
Hazard Symbols: 3
Safety: Poison by ingestion and skin contact. When heated to decomposition it emits toxic fumes of F−. See also HEXAFLUOROACETONE.
PSA: 26.30000
LogP: 1.61580
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Chemistry

Product Name: Hexafluoroacetone hydrate (CAS NO.10543-95-0)


Molecular Formula: C3F6O•H2O
Molecular Weight: 184.05g/mol
Mol File: 10543-95-0.mol
Enthalpy of Vaporization: 22.54 kJ/mol
Vapour Pressure: 5010 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 8
Structure Descriptors of Hexafluoroacetone hydrate (CAS NO.10543-95-0):
  IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-one hydrate
  Canonical SMILES: C(=O)(C(F)(F)F)C(F)(F)F.O
  InChI: InChI=1S/C3F6O.H2O/c4-2(5,6)1(10)3(7,8)9;/h;1H2 
  InChIKey: HEBNOKIGWWEWCN-UHFFFAOYSA-N

Toxicity Data With Reference

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.

Safety Profile

Poison by ingestion and skin contact. When heated to decomposition it emits toxic fumes of F−. See also HEXAFLUOROACETONE.

Standards and Recommendations

DOT Classification:  6.1; Label: Poison

Specification

 Hexafluoroacetone hydrate , its CAS NO. is 10543-95-0, the synonyms are Acetone, hexafluoro-, hydrate ; 2-Propanone, hexafluoro-, hydrate ; UN2552 .