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| CAS No.: | 3972-26-7 |
|---|---|
| Name: | 2-PROPAN-2-D-OL |
| Molecular Structure: | |
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|
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| Formula: | C3H7DO |
| Molecular Weight: | 61.088 |
| Synonyms: | Isopropyl-1-dalcohol (6CI,7CI,8CI);2-Deuterio-2-propanol;2-Deuterioisopropanol;2-Propanol-2-d1;Propan-2-d-2-ol; |
| Density: | 0.804 g/cm3 |
| Melting Point: | -89.5 °C(lit.) |
| Boiling Point: | 73 °C at 760 mmHg |
| Flash Point: | 11.7 °C |
| Hazard Symbols: |
 F
|
| Risk Codes: | 11 |
| Safety: | 7-16 |
| PSA: | 20.23000 |
| LogP: | 0.38710 |
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Specification
The 2-Propan-2-d-ol(9CI) is an organic compound with the formula C3H7DO. The systematic name of this chemical is 2-deuteriopropan-2-ol. With the CAS registry number 3972-26-7, it is also named as Isopropanol-2-d1. Besides, it should be stored in a closed cool and dry place.
Physical properties about 2-Propan-2-d-ol(9CI) are: (1)ACD/LogP: 0.16; (2)ACD/LogD (pH 5.5): 0.16; (3)ACD/LogD (pH 7.4): 0.16; (4)#H bond acceptors: 1; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 20.23 Å2; (8)Index of Refraction: 1.376; (9)Molar Refractivity: 17.44 cm3; (10)Molar Volume: 75.9 cm3; (11)Polarizability: 6.91×10-24cm3; (12)Surface Tension: 22.6 dyne/cm; (13)Density: 0.804 g/cm3; (14)Flash Point: 11.7 °C; (15)Enthalpy of Vaporization: 39.85 kJ/mol; (16)Boiling Point: 73 °C at 760 mmHg; (17)Vapour Pressure: 81.3 mmHg at 25°C.
Preparation: this chemical can be prepared by propan-2-one. This reaction will need reagent LiAlD4 and solvent diethyl ether. The reaction time is 2 hours by heating.
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Uses of 2-Propan-2-d-ol(9CI): it can be used to produce 2-bromo-2-deuterio-propane at temperature of -10 °C. It will need reagent phosphorus (III)-bromide.
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When you are using this chemical, please be cautious about it as the following:
It is highly flammable. When you are using it, keep away from sources of ignition - No smoking.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)([2H])O
(2)InChI: InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3/i3D
(3)InChIKey: KFZMGEQAYNKOFK-WFVSFCRTEE
(4)Std. InChI: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i3D
(5)Std. InChIKey: KFZMGEQAYNKOFK-WFVSFCRTSA-N