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Ethan-1,1-d2-ol-d,2,2,2-trifluoro-

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Name

Ethan-1,1-d2-ol-d,2,2,2-trifluoro-

EINECS 278-649-6
CAS No. 77253-67-9 Density 1.415 g/mL at 25 °C(lit.)
PSA 20.23000 LogP 0.54100
Solubility Miscible with water Melting Point -44 °C(lit.)
Formula C2D3F3O Boiling Point 74 °C at 760 mmHg
Molecular Weight 103.017 Flash Point 29.4 °C
Transport Information UN 1987 Appearance clear colorless liquid
Safety 16-26 Risk Codes 10-20/21/22-38-41-48/20
Molecular Structure Molecular Structure of 77253-67-9 (Ethan-1,1-d2-ol-d,2,2,2-trifluoro-) Hazard Symbols HarmfulXn,FlammableF
Synonyms

2,2,2-Trifluoroethanol-d3;

Article Data 2

Ethan-1,1-d2-ol-d,2,2,2-trifluoro- 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

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