2-Methoxy-4-nitrophenyl isothiocyanate

Base Information

• Chemical Name: 2-Methoxy-4-nitrophenyl isothiocyanate
• CAS No.: 190774-55-1
• Molecular Formula: C8H6N2O3S
• Molecular Weight: 210.21
• Hs Code.: 29309090
• European Community (EC) Number: 620-886-8
• DSSTox Substance ID: DTXSID10346269
• Nikkaji Number: J2.417.485I
• Mol file: 190774-55-1.mol

Synonyms:2-Methoxy-4-nitrophenyl isothiocyanate;190774-55-1;1-Isothiocyanato-2-methoxy-4-nitrobenzene;1-isothiocyanato-2-methoxy-4-nitro-benzene;Benzene, 1-isothiocyanato-2-methoxy-4-nitro-;SCHEMBL1147547;DTXSID10346269;2-methoxy4-nitrophenyl isothiocyanate;BBL017950;MFCD00041379;STK502580;2-Methoxy-4-nitrophenylisothiocyanate;AKOS005171114;FS-4186;1-Isothiocyanato-2-methoxy-4-nitrobenzene #;FT-0612799;2-Methoxy-4-nitrophenyl isothiocyanate, 95%;EN300-7373335;A813436;J-012318

Chemical Property of 2-Methoxy-4-nitrophenyl isothiocyanate

Chemical Property:

• Vapor Pressure: 5.58E-06mmHg at 25°C
• Melting Point: 106-109 °C(lit.)
• Refractive Index: 1.604
• Boiling Point: 391.4 °C at 760 mmHg
• Flash Point: 190.5 °C
• PSA: 99.50000
• Density: 1.33 g/cm³
• LogP: 2.86090
• Sensitive.: Moisture Sensitive
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 210.00991323
• Heavy Atom Count: 14
• Complexity: 260

Purity/Quality:

98%min ^*data from raw suppliers

2-Methoxy-4-nitrophenyl isothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])N=C=S