3-(3-Thienyl)benzonitrile

Base Information

• Chemical Name: 3-(3-Thienyl)benzonitrile
• CAS No.: 870703-81-4
• Molecular Formula: C11H7NS
• Molecular Weight: 185.24
• Hs Code.: 2934999090
• European Community (EC) Number: 622-050-8
• DSSTox Substance ID: DTXSID30399656
• Wikidata: Q82202328
• Mol file: 870703-81-4.mol

Synonyms:3-(3-Thienyl)benzonitrile;870703-81-4;3-(Thiophen-3-yl)benzonitrile;3-thiophen-3-ylbenzonitrile;SCHEMBL13210269;DTXSID30399656;3-(3-Thienyl)benzonitrile, 97%;MFCD06409245;AKOS004114089;BB 0222693

Chemical Property of 3-(3-Thienyl)benzonitrile

Chemical Property:

• Vapor Pressure: 0.00132mmHg at 25°C
• Melting Point: 48-52 °C(lit.)
• Boiling Point: 297.7°C at 760 mmHg
• Flash Point: 110 °C
• PSA: 52.03000
• Density: 1.23g/cm³
• LogP: 3.28678
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 185.02992040
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

3-(3-Thienyl)benzonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C2=CSC=C2)C#N