Chemical Properties of 4-Chlorophenyl isothiocyanate (CAS 2131-55-7)

4-Chlorophenyl isothiocyanate

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InChI
InChI=1S/C7H4ClNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChI Key
MZZVFXMTZTVUFO-UHFFFAOYSA-N
Formula
C7H4ClNS
SMILES
S=C=Nc1ccc(Cl)cc1
Molecular Weight1
169.63
CAS
2131-55-7
Other Names
  • p-Chlorophenyl isothiocyanate
  • Benzene, 1-chloro-4-isothiocyanato-
  • Isothiocyanic acid, p-chlorophenyl ester
  • Isothiocyanic acid, 4-chlorophenyl ester
  • 1-Chloro-4-isothiocyanatobenzene
  • 4-Chlor-phenyl-isothiocyanat
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Physical Properties

Property Value Unit Source
Δfgas 305.58 kJ/mol Joback Calculated Property
Δvap 48.94 kJ/mol Joback Calculated Property
log10WS -3.07 Crippen Calculated Property
logPoct/wat 3.074 Crippen Calculated Property
McVol 115.700 ml/mol McGowan Calculated Property
Pc 3960.52 kPa Joback Calculated Property
Tboil 574.60 K Joback Calculated Property
Tc 845.67 K Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 402.00 ± 1.00 K 2.40 NIST

Similar Compounds

Benzene, 1-chloro-4-isocyanato-. 3,4-Dichlorophenyl isothiocyanate. 3-Chlorophenyl isothiocyanate. 2,4-Dichlorophenyl isothiocyanate. 2-Chlorophenyl isothiocyanate. Benzene, 1-chloro-4-nitroso-. Bitoscanate. Benzene, 1,2-dichloro-4-isocyanato-. Benzene, isothiocyanato-. 2,5-Dichlorophenyl isothiocyanate. Benzene, 1-chloro-3-isocyanato-. Benzenamine, 4-chloro-N-sulfinyl-. 2,3,4-Trichlorophenyl isothiocyanate. Methanimidamide, N'-(4-chlorophenyl)-N,N-dimethyl-. p-Chloroaniline.

Find more compounds similar to 4-Chlorophenyl isothiocyanate.

Sources

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