5-Chloro-2-nitrophenyl isocyanate

Base Information

• Chemical Name: 5-Chloro-2-nitrophenyl isocyanate
• CAS No.: 302912-24-9
• Molecular Formula: C₇H₃ClN₂O₃
• Molecular Weight: 198.565
• Hs Code.: 2929109000
• European Community (EC) Number: 623-404-4
• DSSTox Substance ID: DTXSID00411152
• Mol file: 302912-24-9.mol

Synonyms:5-Chloro-2-nitrophenyl isocyanate;302912-24-9;4-chloro-2-isocyanato-1-nitrobenzene;SCHEMBL3842208;DTXSID00411152;MFCD01863682;5-Chloro-2-nitrophenyl isocyanate 97;5-Chloro-2-nitrophenyl isocyanate, 97%;EN300-1981519;J-017874

Chemical Property of 5-Chloro-2-nitrophenyl isocyanate

Chemical Property:

• Vapor Pressure: 0.000365mmHg at 25°C
• Melting Point: 35-37 °C(lit.)
• Refractive Index: 1.612
• Boiling Point: 318.3°C at 760 mmHg
• Flash Point: >230 °F
• PSA: 75.25000
• Density: 1.48g/cm³
• LogP: 2.73870
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 197.9832197
• Heavy Atom Count: 13
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

5-CHLORO-2-NITROPHENYL ISOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)N=C=O)[N+](=O)[O-]