Chemical Properties of 3-Chloro-4-fluorophenyl isothiocyanate (CAS 137724-66-4)

3-Chloro-4-fluorophenyl isothiocyanate

InChI
InChI=1S/C7H3ClFNS/c8-6-3-5(10-4-11)1-2-7(6)9/h1-3H
InChI Key
BUVRIIKIGKFOKD-UHFFFAOYSA-N
Formula
C7H3ClFNS
SMILES
Fc1ccc(N=C=S)cc1Cl
Molecular Weight1
187.62
CAS
137724-66-4
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Physical Properties

Property Value Unit Source
IE 8.77 eV Relay (1.0) Calculated Property
logPoct/wat 3.213 Crippen Calculated Property
McVol 117.470 ml/mol McGowan Calculated Property
Tboil 469.87 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

3,4-Dichlorophenyl isothiocyanate. 3-Chlorophenyl isothiocyanate. 3-Chloro-4-fluoronitrobenzene. Benzene, 1-fluoro-4-isothiocyanato-. 4-Bromo-3-chlorophenyl isothiocyanate. Benzene, 1-fluoro-3-isothiocyanato-. 2,4-Difluorophenyl isothiocyanate. 2-Chlorophenyl isothiocyanate. Benzene, 1,2-dichloro-4-isocyanato-. 2,4-Dichlorophenyl isothiocyanate. Benzene, 1-chloro-3-isocyanato-. 2-Fluorophenyl isothiocyanate. 4-Chlorophenyl isothiocyanate. 2,5-Dichlorophenyl isothiocyanate. 3-Chloro-4-methylphenyl isothiocyanate.

Find more compounds similar to 3-Chloro-4-fluorophenyl isothiocyanate.

Sources

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