1-Benzothiophene-5-carbonitrile

Base Information

• Chemical Name: 1-Benzothiophene-5-carbonitrile
• CAS No.: 2060-63-1
• Molecular Formula: C₉H₅NS
• Molecular Weight: 159.211
• Hs Code.: 2934999090
• European Community (EC) Number: 695-319-0
• DSSTox Substance ID: DTXSID30383676
• Nikkaji Number: J150.981K
• Wikidata: Q82175466
• Mol file: 2060-63-1.mol

Synonyms:1-BENZOTHIOPHENE-5-CARBONITRILE;2060-63-1;benzo[b]thiophene-5-carbonitrile;5-cyanobenzothiophene;5-Thionaphthenecarbonitrile;SCHEMBL574252;DTXSID30383676;AMY20052;CAA06063;BENZOTHIOPHENE-5-CARBONITRILE;MFCD05664404;AKOS006282087;MB03564;AS-50473;CS-0036253;FT-0634012;EN300-106318;P10319;A814742;W-206539;Z1198165874

Chemical Property of 1-Benzothiophene-5-carbonitrile

Chemical Property:

• Vapor Pressure: 0.000522mmHg at 25°C
• Melting Point: 69 °C
• Refractive Index: 1.68
• Boiling Point: 312.7 °C at 760 mmHg
• Flash Point: 142.9 °C
• PSA: 52.03000
• Density: 1.28 g/cm³
• LogP: 2.77298
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 159.01427034
• Heavy Atom Count: 11
• Complexity: 193

Purity/Quality:

99.3% ^*data from raw suppliers

1-Benzothiophene-5-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CS2)C=C1C#N