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| CAS No.: | 77253-67-9 |
|---|---|
| Name: | 2,2,2-TRIFLUOROETHANOL-D3 |
| Article Data: | 2 |
| Molecular Structure: | |
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|
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| Formula: | C2D3F3O |
| Molecular Weight: | 103.017 |
| Synonyms: | 2,2,2-Trifluoroethanol-d3; |
| EINECS: | 278-649-6 |
| Density: | 1.415 g/mL at 25 °C(lit.) |
| Melting Point: | -44 °C(lit.) |
| Boiling Point: | 74 °C at 760 mmHg |
| Flash Point: | 29.4 °C |
| Solubility: | Miscible with water |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 Xn, F
|
| Risk Codes: | 10-20/21/22-38-41-48/20 |
| Safety: | 16-26 |
| Transport Information: | UN 1987 |
| PSA: | 20.23000 |
| LogP: | 0.54100 |
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Specification
The CAS registry number of Ethan-1,1-d2-ol-d,2,2,2-trifluoro- is 77253-67-9. It belongs to the product categories of Alphabetical Listings; NMR - SolventsStable Isotopes; NMR Solvents and Reagents. This chemical is also named as 2,2,2-Trifluoro(2H2)ethan(2H)ol. Its EINECS registry number is 278-649-6. In addition, its molecular formula is C2D3F3O and molecular weight is 103.06. Its IUPAC name is called 1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane.
Physical properties about Ethan-1,1-d2-ol-d,2,2,2-trifluoro- are: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1.01; (6)ACD/BCF (pH 7.4): 1.01; (7)ACD/KOC (pH 5.5): 35.14; (8)ACD/KOC (pH 7.4): 35.14; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.281; (13)Molar Refractivity: 13.3 cm3; (14)Molar Volume: 75.4 cm3; (15)Surface Tension: 16.5 dyne/cm; (16)Density: 1.366 g/cm3; (17)Flash Point: 29.4 °C; (18)Enthalpy of Vaporization: 36.76 kJ/mol; (19)Boiling Point: 74 °C at 760 mmHg; (20)Vapour Pressure: 77.3 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It may catch fire in contact with air or only need brief contact with an ignition source. What's more, this chemical has a very low flash point or evolve highly flammable gases in contact with water. It is flammable and harmful by inhalation, in contact with skin and if swallowed. Also, it's irritating to skin and it's a risk of serious damage to eyes. In addition, it's harmful and dangerous to health by prolonged exposure through inhalation.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C([2H])([2H])O[2H]
(2)InChI: InChI=1/C2H3F3O/c3-2(4,5)1-6/h6H,1H2/i1D2,6D
(3)InChIKey: RHQDFWAXVIIEBN-IDPMSXFZEQ