Acrylonitrile-3-13C

Base Information

• Chemical Name: Acrylonitrile-3-13C
• CAS No.: 55757-47-6
• Molecular Formula: C3H3N
• Molecular Weight: 54.07
• European Community (EC) Number: 687-197-2
• DSSTox Substance ID: DTXSID80583902
• Nikkaji Number: J800.338F
• Wikidata: Q82475513
• Mol file: 55757-47-6.mol

Synonyms:Acrylonitrile-3-13C;55757-47-6;(313C)prop-2-enenitrile;(3-~13~C)Prop-2-enenitrile;DTXSID80583902;Acrylonitrile-3-13C, >=99 atom % 13C, >=99% (CP), contains hydroquinone as stabilizer

Chemical Property of Acrylonitrile-3-13C

Chemical Property:

• Melting Point: −83 °C(lit.)
• Refractive Index: n20/D 1.391(lit.)
• Boiling Point: 77 °C(lit.)
• Flash Point: 32 °F
• 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:

99% ^*data from raw suppliers

Acrylonitrile-3-13C ≥99 atom % ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T,N
• Statements: 45-46-11-23/24/25-36/37-62-51/53-43-41-37/38-63
• Safety Statements: 53-16-23-36/37/39-45-61-39-36/37-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC#N
• Isomeric SMILES: [13CH2]=CC#N