Chemical Properties of Benzene, 1-isothiocyanato-3-nitro- (CAS 3529-82-6)

Benzene, 1-isothiocyanato-3-nitro-

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InChI
InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H
InChI Key
OEZXLKSZOAWNJU-UHFFFAOYSA-N
Formula
C7H4N2O2S
SMILES
O=[N+]([O-])c1cccc(N=C=S)c1
Molecular Weight1
180.18
CAS
3529-82-6
Other Names
  • Isothiocyanic acid, m-nitrophenyl ester
  • m-Nitrophenyl isothiocyanate
  • 3-Nitrophenyl isothiocyanate
  • Phenyl, 3-nitro, isothiocyanate
  • Phenylisothiocyanate, 3-nitro
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Physical Properties

Property Value Unit Source
Δfgas 310.56 kJ/mol Joback Calculated Property
Δvap 61.15 kJ/mol Joback Calculated Property
log10WS -3.04 Crippen Calculated Property
logPoct/wat 2.329 Crippen Calculated Property
McVol 120.880 ml/mol McGowan Calculated Property
Pc 4216.56 kPa Joback Calculated Property
Tboil 689.01 K Joback Calculated Property
Tc 980.14 K Joback Calculated Property

Similar Compounds

Benzene, 1,3-dinitro-. 2-Nitrophenyl isothiocyanate. 4-Chloro-3-nitrophenyl isothiocyanate. N''-(3-nitro-phenyl)-N,N,N',N'-tetramethyl -guanidine. Benzene, 1-chloro-2-isothiocyanato-4-nitro-. Methanimidamide, N,N-dimethyl-N'-(3-nitrophenyl)-. Benzene, 1-isothiocyanato-4-nitro-. m-Nitroaniline. 2-Nitrophenyl isocyanate. 2-Fluoro-5-nitrophenyl isocyanate. 4-Chloro-3-nitrophenyl isocyanate. 4-Fluoro-3-nitrophenyl isocyanate. N'-(3-nitro-phenyl)-N,N-dimethyl-acetamidine. Benzene, 1-isocyanato-4-nitro-. 2-Methoxy-5-nitrophenylisothiocyanate.

Find more compounds similar to Benzene, 1-isothiocyanato-3-nitro-.

Sources

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