Chemical Properties of Benzoic acid, 3-isothiocyanato- (CAS 2131-63-7)

Benzoic acid, 3-isothiocyanato-

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InChI
InChI=1S/C8H5NO2S/c10-8(11)6-2-1-3-7(4-6)9-5-12/h1-4H,(H,10,11)
InChI Key
PJRBPKOOGLKPFB-UHFFFAOYSA-N
Formula
C8H5NO2S
SMILES
O=C(O)c1cccc(N=C=S)c1
Molecular Weight1
179.20
CAS
2131-63-7
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Physical Properties

Property Value Unit Source
Δfgas 35.87 kJ/mol Joback Calculated Property
Δvap 70.21 kJ/mol Joback Calculated Property
log10WS -2.45 Crippen Calculated Property
logPoct/wat 2.119 Crippen Calculated Property
McVol 124.990 ml/mol McGowan Calculated Property
Pc 4486.22 kPa Joback Calculated Property
Tboil 706.10 K Joback Calculated Property
Tc 948.49 K Joback Calculated Property

Similar Compounds

3-Methoxycarbonylphenyl isothiocyanate. Benzoic acid, 3-(acetylamino)-. Benzoic acid, 3-amino-. Benzoic acid, 3-nitro-. 3-Ethoxycarbonylphenyl isothiocyanate. Benzoic acid, 4-isothiocyanato-. Benzoic acid, 2-(acetylamino)-. Benzoic acid, 3-nitro-, methyl ester. 3-Acetylphenylisothiocyanate. 4-nitrophthalic acid. Benzoic acid, 3,5-dinitro-. Benzoic acid, 3-amino-, methyl ester. 3-Amino-4-chlorobenzoic acid. 2-Chloro-5-nitrobenzoic acid. 3,4-dinitrobenzoic acid.

Find more compounds similar to Benzoic acid, 3-isothiocyanato-.

Sources

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