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| CAS No.: | 202468-69-7 |
|---|---|
| Name: | 1,2-EPOXYPROPANE-D6 |
| Molecular Structure: | |
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|
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| Formula: | C3D6O |
| Molecular Weight: | 64.0324 |
| Synonyms: | Propylene oxide-d6; |
| Density: | 0.997 g/cm3 |
| Melting Point: | -112 °C(lit.) |
| Boiling Point: | 32.9 °C at 760 mmHg |
| Flash Point: | <-30 °F |
| Hazard Symbols: |
 F+, T
|
| Risk Codes: | 45-12-20/21/22-36/37/38 |
| Safety: | 53-45 |
| Transport Information: | UN 1280 3/PG 1 |
| PSA: | 12.53000 |
| LogP: | 0.40510 |
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Specification
The CAS register number of Oxirane-d3,methyl-d3- (9CI) is 202468-69-7. It also can be called as Propylene oxide-d6 and the systematic name about this chemical is 2-(~2~H_3_)methyl(~2~H_3_)oxirane. The molecular formula about this chemical is C3D6O and the molecular weight is 64.12.
Physical properties about Oxirane-d3,methyl-d3- (9CI) are: (1)ACD/LogP: 0.13; (2)ACD/LogD (pH 5.5): 0.13; (3)ACD/LogD (pH 7.4): 0.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27.87; (7)ACD/KOC (pH 7.4): 27.87; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.53Å2; (10)Index of Refraction: 1.398; (11)Molar Refractivity: 15.53 cm3; (12)Molar Volume: 64.2 cm3; (13)Polarizability: 6.15x10-24cm3; (14)Surface Tension: 25.2 dyne/cm; (15)Enthalpy of Vaporization: 27.35 kJ/mol; (16)Boiling Point: 32.9 °C at 760 mmHg; (17)Vapour Pressure: 572 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It may cause cancer. This chemical also is extremely flammable. It is irritating to eyes, respiratory system and skin. When you are using it, please avoid exposure - obtain special instructions before use. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])C1([2H])OC1([2H])[2H]
(2)InChI: InChI=1/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/i1D3,2D2,3D
(3)InChIKey: GOOHAUXETOMSMM-LIDOUZCJEQ
(4)Std. InChI: InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/i1D3,2D2,3D
(5)Std. InChIKey: GOOHAUXETOMSMM-LIDOUZCJSA-N