CID 12247676

Base Information

• Chemical Name: CID 12247676
• CAS No.: 107745-70-0
• Molecular Formula: C₂H₄O₂
• Molecular Weight: 65.9988
• European Community (EC) Number: 686-049-4
• Nikkaji Number: J441.057B
• Mol file: 107745-70-0.mol

Synonyms:107745-70-0;2,2,2-trideuterioacetic acid

Chemical Property of CID 12247676

Chemical Property:

• Vapor Pressure: 11.4 mm Hg ( 20 °C)
• Refractive Index: n20/D 1.3695(lit.)
• Boiling Point: 118 °C(lit.)
• Flash Point: 104 °F
• PSA: 0.00000
• Density: 1.137 g/mL at 25 °C(lit.)
• LogP: 0.00000
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 65.046669275
• Heavy Atom Count: 4
• Complexity: 31

Purity/Quality:

99% ^*data from raw suppliers

AceticAcid-13C2,D3 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 10-35
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)O
• Isomeric SMILES: [2H][13C]([2H])([2H])[13C](=O)O

Technology Process of CID 12247676

There total 1 articles about CID 12247676 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

[1,2-(13)C]acetic acid-d3 sodium salt → [1,2-(13)C]acetic acid-d4 (402835-82-9,107745-70-0)

Guidance literature:

With ⁽²⁾H₂O*⁽²⁾H₃O₄P; under 1 Torr;

DOI:10.1002/jlcr.1933

Refernces