1-Chloro-2-isothiocyanato-4-nitrobenzene

Base Information

• Chemical Name: 1-Chloro-2-isothiocyanato-4-nitrobenzene
• CAS No.: 57135-68-9
• Molecular Formula: C7H3ClN2O2S
• Molecular Weight: 214.63
• Hs Code.: 2930909090
• European Community (EC) Number: 260-586-0
• DSSTox Substance ID: DTXSID20205772
• Nikkaji Number: J349.097A
• Mol file: 57135-68-9.mol

Synonyms:57135-68-9;2-Chloro-5-nitrophenyl isothiocyanate;1-Chloro-2-isothiocyanato-4-nitrobenzene;Benzene, 1-chloro-2-isothiocyanato-4-nitro-;EINECS 260-586-0;SCHEMBL6154927;DTXSID20205772;MFCD00060632;AKOS001057692;1-Chloro-2-isothiocyanato-4-nitrobenzene #;FT-0640440;A831324;Z56968781

Chemical Property of 1-Chloro-2-isothiocyanato-4-nitrobenzene

Chemical Property:

• Vapor Pressure: 8.42E-05mmHg at 25°C
• Melting Point: 67 °C
• Refractive Index: 1.651
• Boiling Point: 351.3 °C at 760 mmHg
• Flash Point: 166.2 °C
• PSA: 90.27000
• Density: 1.48 g/cm³
• LogP: 3.50570
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 213.9603762
• Heavy Atom Count: 13
• Complexity: 249

Purity/Quality:

98%Min ^*data from raw suppliers

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

Safty Information:

• Statements: 34
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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