1-Cyano-2-(3-nitrophenyl)ethyl thiocyanate

Base Information

• Chemical Name: 1-Cyano-2-(3-nitrophenyl)ethyl thiocyanate
• CAS No.: 5155-68-0
• Molecular Formula: C10H7N3O2S
• Molecular Weight: 233.2465
• DSSTox Substance ID: DTXSID70385290
• Mol file: 5155-68-0.mol

Synonyms:1-cyano-2-(3-nitrophenyl)ethyl thiocyanate;5155-68-0;CBMicro_011703;Cambridge id 5155680;Oprea1_003070;SCHEMBL3411797;DTXSID70385290;SMSF0003938;MFCD00708969;STK952016;AKOS002184177;AKOS016245129;CB14881;BIM-0011682.P001;SR-01000197240;SR-01000197240-1;2-(CYANOSULFANYL)-3-(3-NITROPHENYL)PROPANENITRILE

Chemical Property of 1-Cyano-2-(3-nitrophenyl)ethyl thiocyanate

Chemical Property:

• Vapor Pressure: 1.08E-08mmHg at 25°C
• Boiling Point: 461.3°C at 760 mmHg
• Flash Point: 232.8°C
• Density: 1.386g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 233.02589765
• Heavy Atom Count: 16
• Complexity: 348

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CC(C#N)SC#N