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| CAS No.: | 16649-49-3 |
|---|---|
| Name: | ACETIC ANHYDRIDE-D6 |
| Article Data: | 8 |
| Molecular Structure: | |
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|
|
| Formula: | C4D6O3 |
| Molecular Weight: | 108.042 |
| Synonyms: | (Aceticanhydride)-d6 (6CI,8CI);Acetic-d3 acid, anhydride (9CI);Hexadeuterioaceticanhydride;Perdeuterioacetic anhydride;D6-Acetic anhydride;AC1MC3ZC;175641_ALDRICH;MolPort-003-927-147;DE146;CID2723966; |
| EINECS: | 240-697-0 |
| Density: | 1.136 g/cm3 |
| Melting Point: | -73 °C |
| Boiling Point: | 141.1 °C at 760 mmHg |
| Flash Point: | 54.4 °C |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 10-34 |
| Safety: | 26-45 |
| Transport Information: | UN 1715 |
| PSA: | 43.37000 |
| LogP: | 0.09600 |
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Specification
The Acetic-2,2,2-D3 acid,1,1'-anhydride with CAS registry number of 16649-49-3 is also known as (Aceticanhydride)-D6 (6CI,8CI). The IUPAC name is (2,2,2-Trideuterioacetyl) 2,2,2-trideuterioacetate. It belongs to product categories of A; Alphabetical Listings; Stable Isotopes. This chemical is colourless liquid and its EINECS registry number is 240-697-0. In addition, the formula is C4D6O3 and the molecular weight is 108.13.
Physical properties about Acetic-2,2,2-D3 acid,1,1'-anhydride are: (1)ACD/LogP: -0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.48; (4)ACD/LogD (pH 7.4): -0.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.01; (8)ACD/KOC (pH 7.4): 13.01; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37Å2; (13)Index of Refraction: 1.386; (14)Molar Refractivity: 22.38 cm3; (15)Molar Volume: 95.1 cm3; (16)Polarizability: 8.87×10-24cm3; (17)Surface Tension: 29.1 dyne/cm; (18)Density: 1.136 g/cm3; (19)Flash Point: 54.4 °C; (20)Enthalpy of Vaporization: 37.83 kJ/mol; (21)Boiling Point: 141.1 °C at 760 mmHg; (22)Vapour Pressure: 5.94 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is flammable and may cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. SMILES: [2H]C([2H])([2H])C(=O)OC(=O)C([2H])([2H])[2H]
2. InChI: InChI=1/C4H6O3/c1-3(5)7-4(2)6/h1-2H3/i1D3,2D3
3. InChIKey: WFDIJRYMOXRFFG-WFGJKAKNEU
4. Std. InChI: InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3/i1D3,2D3
5. Std. InChIKey: WFDIJRYMOXRFFG-WFGJKAKNSA-N