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Acetic-D3 acid-D(6CI,7CI,8CI,9CI)

  • Name Acetic-D3 acid-D(6CI,7CI,8CI,9CI)
  • EINECS214-693-4
  • CAS No. 1186-52-3
  • Density1.14 g/cm3
  • PSA37.30000
  • LogP0.09090
  • Solubilityblending with water, ethanol and aether
  • Melting Point15-16 °C
  • FormulaC2D4O2
  • Boiling Point117.1 °C at 760 mmHg
  • Molecular Weight64.0208
  • Flash Point40 °C
  • Transport InformationUN 2789
  • Appearancecolourless liquid
  • Safety23-26-45
  • Risk Codes10-35
  • Molecular Structure
    Molecular Structure of 1186-52-3 (ACETIC-D3 ACID-D)
  • Hazard SymbolsCorrosiveC
  • SynonymsCorrosiveC
  • Article Data26

Acetic-D3 acid-D(6CI,7CI,8CI,9CI) Specification

The Acetic-D3 acid-D(6CI,7CI,8CI,9CI) with CAS registry number of 1186-52-3 is also known as Acetic-D3 acid-D. The IUPAC name is Deuterio 2,2,2-trideuterioacetate. This chemical is a colourless liquid and its EINECS registry number is 214-693-4. In addition, the formula is C2D4O2 and the molecular weight is 64.08. This chemical should be stored in sealed containers in cool, dry place and away from oxidizing agents, water, acid, alkali, metal powder and so on.

Physical properties about Acetic-D3 acid-D(6CI,7CI,8CI,9CI) are: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -2.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.73; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3Å2; (13)Index of Refraction: 1.375; (14)Molar Refractivity: 12.87 cm3; (15)Molar Volume: 56.1 cm3; (16)Polarizability: 5.1×10-24cm3; (17)Surface Tension: 31.9 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 40 °C; (20)Enthalpy of Vaporization: 23.7 kJ/mol; (21)Boiling Point: 117.1 °C at 760 mmHg; (22)Vapour Pressure: 13.9 mmHg at 25 °C.

Uses of Acetic-D3 acid-D(6CI,7CI,8CI,9CI): it is used to produce trideuterioacetyl chloride. The reaction occurs with reagent benzoyl chloride. The yield is about 86%.

Acetic-D3 acid-d(6CI,7CI,8CI,9CI) is used to produce trideuterioacetyl chloride.

When you are using this chemical, please be cautious about it. As a chemical, it is flammable and may cause severe burns. During using it, do not breathe gas/fumes/vapour/spray. 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)O[2H]
2. InChI: InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD
3. InChIKey: QTBSBXVTEAMEQO-GUEYOVJQEN
4. Std. InChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD
5. Std. InChIKey: QTBSBXVTEAMEQO-GUEYOVJQSA-N

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