CID 12198405

Base Information

• Chemical Name: CID 12198405
• CAS No.: 62663-01-8
• Molecular Formula: C2H2DN
• Molecular Weight: 43.067081778
• European Community (EC) Number: 687-219-0

Synonyms:62663-01-8;Acetonitrile-2-13C, d3, 99 atom % 13C, 99.5 atom % D

Chemical Property of CID 12198405

Chemical Property:

• Boiling Point: 81 °C(lit.)
• Flash Point: 42 °F
• PSA: 23.79000
• Density: 0.863 g/mL at 25 °C(lit.)
• LogP: 0.52988
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 45.048734173
• Heavy Atom Count: 3
• Complexity: 29.3

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Hazard Codes: F,T
• Statements: 11-23/24/25
• Safety Statements: 16-27-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#N
• Isomeric SMILES: [2H][13C]([2H])([2H])C#N

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