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| CAS No.: | 34202-69-2 |
|---|---|
| Name: | Hexafluoroacetone trihydrate |
| Molecular Structure: | |
|
|
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| Formula: | C3F6O.3(H2O) |
| Molecular Weight: | 220.09 |
| Synonyms: | 2-Propanone,1,1,1,3,3,3-hexafluoro-, trihydrate (8CI,9CI);Hexafluoroacetone trihydrate; |
| EINECS: | 211-676-3 |
| Density: | 1.579g/mLat 25°C(lit.) |
| Melting Point: | 18-21 °C(lit.) |
| Boiling Point: | 299.6 °C at 760 mmHg |
| Flash Point: | 135 °C |
| Solubility: | Completely soluble in water |
| Appearance: | Colorless gas with a musty odor. Hydroscopic. |
| Hazard Symbols: |
 T
|
| Risk Codes: | 23/24/25-34-63 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2552 6.1/PG 2 |
| PSA: | 44.76000 |
| LogP: | 1.48720 |
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Specification
The Hexafluoro acetone trihydrate is an organic compound with the formula C3F6O.3(H2O). The IUPAC name of this chemical is 1,1,1,3,3,3-hexafluoropropan-2-one trihydrate. With the CAS registry number 34202-69-2, it is also named as . The product's categories are Pharmaceutical Intermediates; Organic Fluorides; Fluoro Series. Besides, it should be stored in a closed cool and dry place.
Physical properties about Hexafluoro acetone trihydrate are: (1)ACD/LogP: 1.89 ; (2)ACD/LogD (pH 5.5): 1.89; (3)ACD/LogD (pH 7.4): 1.89; (4)ACD/BCF (pH 5.5): 16.19; (5)ACD/BCF (pH 7.4): 16.19; (6)ACD/KOC (pH 5.5): 255.37; (7)ACD/KOC (pH 7.4): 255.37; (8)#H bond acceptors: 1; (9)Polar Surface Area: 17.07 Å2; (10)Flash Point: 135 °C; (11)Enthalpy of Vaporization: 22.54 kJ/mol; (12)Boiling Point: 299.6 °C at 760 mmHg; (13)Vapour Pressure: 5010 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical can cause burns and possible risk of harm to the unborn child. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(=O)C(F)(F)F.O.O.O
(2)InChI: InChI=1/C3F6O.3H2O/c4-2(5,6)1(10)3(7,8)9;;;/h;3*1H2
(3)InChIKey: SNZAEUWCEHDROX-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C3F6O.3H2O/c4-2(5,6)1(10)3(7,8)9;;;/h;3*1H2
(5)Std. InChIKey: SNZAEUWCEHDROX-UHFFFAOYSA-N
The toxicity data is as follows:
| 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. |