-
Name
HEXAFLUORO-2-PROPANONE MONOHYDRATE
- EINECS
- CAS No. 10543-95-0
- Density 1.496g/cm3
- Solubility
- Melting Point -125.45oC @ 101.3 kPa
- Formula C3F6 O . H2 O
- Boiling Point 234.3°Cat760mmHg
- Molecular Weight 184.05
- Flash Point 104.3°C
- Transport Information
- Appearance
- Safety Poison by ingestion and skin contact. When heated to decomposition it emits toxic fumes of F−. See also HEXAFLUOROACETONE.
- Risk Codes
-
Molecular Structure
- Hazard Symbols 3
- Synonyms 2-Propanone,1,1,1,3,3,3-hexafluoro-, monohydrate (8CI,9CI)
- PSA 26.30000
- LogP 1.61580
Hexafluoroacetone hydrate Chemical Properties
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
Hexafluoroacetone hydrate 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. |
Hexafluoroacetone hydrate Safety Profile
Poison by ingestion and skin contact. When heated to decomposition it emits toxic fumes of F−. See also HEXAFLUOROACETONE.
Hexafluoroacetone hydrate Standards and Recommendations
DOT Classification: 6.1; Label: Poison
Hexafluoroacetone hydrate Specification
Hexafluoroacetone hydrate , its CAS NO. is 10543-95-0, the synonyms are Acetone, hexafluoro-, hydrate ; 2-Propanone, hexafluoro-, hydrate ; UN2552 .
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