Product Name

  • Name

    ACETIC ANHYDRIDE-D6

  • EINECS 240-697-0
  • CAS No. 16649-49-3
  • Article Data8
  • CAS DataBase
  • Density 1.136 g/cm3
  • Solubility
  • Melting Point -73 °C
  • Formula C4D6O3
  • Boiling Point 141.1 °C at 760 mmHg
  • Molecular Weight 108.042
  • Flash Point 54.4 °C
  • Transport Information UN 1715
  • Appearance colourless liquid
  • Safety 26-45
  • Risk Codes 10-34
  • Molecular Structure Molecular Structure of 16649-49-3 (ACETIC ANHYDRIDE-D6)
  • Hazard Symbols CorrosiveC
  • 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;
  • PSA 43.37000
  • LogP 0.09600

Acetic-2,2,2-D3 acid,1,1'-anhydride 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

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