5-Chloro-2-isocyanatobenzonitrile

Base Information

• Chemical Name: 5-Chloro-2-isocyanatobenzonitrile
• CAS No.: 64411-72-9
• Molecular Formula: C8H3ClN2O
• Molecular Weight: 178.578
• Hs Code.: 2929109000
• European Community (EC) Number: 862-134-3
• DSSTox Substance ID: DTXSID00397301
• Mol file: 64411-72-9.mol

Synonyms:5-chloro-2-isocyanatobenzonitrile;64411-72-9;Benzonitrile,5-chloro-2-isocyanato-;SCHEMBL10712015;2-isocyanato-5-chlorobenzonitrile;DTXSID00397301;HGZKGYSDLSMMKA-UHFFFAOYSA-N;MFCD06660667;AKOS000122545;BS-29104;5-Chloro-2-isocyanatobenzonitrile, AldrichCPR;EN300-04017

Chemical Property of 5-Chloro-2-isocyanatobenzonitrile

Chemical Property:

• Vapor Pressure: 0.00194mmHg at 25°C
• Refractive Index: 1.586
• Boiling Point: 291.5 °C at 760 mmHg
• Flash Point: 130.1 °C
• PSA: 53.22000
• Density: 1.26 g/cm³
• LogP: 2.17898
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.9933904
• Heavy Atom Count: 12
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-2-isocyanatobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)C#N)N=C=O