Acrylonitrile-2-13C

Base Information

• Chemical Name: Acrylonitrile-2-13C
• CAS No.: 89511-33-1
• Molecular Formula: C3H3 N
• Molecular Weight: 54.07
• European Community (EC) Number: 685-201-7
• DSSTox Substance ID: DTXSID50584345
• Nikkaji Number: J800.337H
• Mol file: 89511-33-1.mol

Synonyms:Acrylonitrile-2-13C;89511-33-1;(213C)prop-2-enenitrile;(2-~13~C)Prop-2-enenitrile;DTXSID50584345;Acrylonitrile-2-13C, >=99 atom % 13C, >=99% (CP), contains hydroquinone as stabilizer

Chemical Property of Acrylonitrile-2-13C

Chemical Property:

• Melting Point: -83 °C(lit.)
• Boiling Point: 77 °C(lit.)
• Flash Point: 32 °C
• PSA: 23.79000
• Density: 0.815 g/mL at 25 °C
• LogP: 0.69598
• Storage Temp.: 2-8°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 54.029903935
• Heavy Atom Count: 4
• Complexity: 54.9

Purity/Quality:

ACRYLONITRILE-2-13C 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T,N
• Statements: 45-11-23/24/25-37/38-41-43-51/53-62-63
• Safety Statements: 53-9-16-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC#N
• Isomeric SMILES: C=[13CH]C#N