Isoquinoline-7-carbonitrile

Base Information

• Chemical Name: Isoquinoline-7-carbonitrile
• CAS No.: 223671-92-9
• Molecular Formula: C10H6 N2
• Molecular Weight: 154.17
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID90608054
• Wikidata: Q72486425
• Mol file: 223671-92-9.mol

Synonyms:Isoquinoline-7-carbonitrile;223671-92-9;7-Isoquinolinecarbonitrile(9CI);7-Cyanoisoquinoline;7-cyano-isoquinoline;SCHEMBL3350817;DTXSID90608054;JGMSGABJHLXRRW-UHFFFAOYSA-N;MFCD10699231;AKOS006283021;FS-3460;MB08768;CS-0130143;A878566;W-206756

Chemical Property of Isoquinoline-7-carbonitrile

Chemical Property:

• Vapor Pressure: 8.03E-05mmHg at 25°C
• Refractive Index: 1.654
• Boiling Point: 341.5oC at 760 mmHg
• PKA: 3.88±0.10(Predicted)
• Flash Point: 119.8oC
• PSA: 36.68000
• Density: 1.21g/cm3
• LogP: 2.10648
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 154.053098200
• Heavy Atom Count: 12
• Complexity: 203

Purity/Quality:

98%min ^*data from raw suppliers

Isoquinoline-7-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=CN=C2)C#N