Chemical Properties of 3-Methoxycarbonylphenyl isothiocyanate (CAS 3125-66-4)

3-Methoxycarbonylphenyl isothiocyanate

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InChI
InChI=1S/C9H7NO2S/c1-12-9(11)7-3-2-4-8(5-7)10-6-13/h2-5H,1H3
InChI Key
NQXFZEJJHPUMMF-UHFFFAOYSA-N
Formula
C9H7NO2S
SMILES
COC(=O)c1cccc(N=C=S)c1
Molecular Weight1
193.22
CAS
3125-66-4
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Physical Properties

Property Value Unit Source
Δfgas 35.24 kJ/mol Joback Calculated Property
Δvap 58.16 kJ/mol Joback Calculated Property
log10WS -2.63 Crippen Calculated Property
logPoct/wat 2.208 Crippen Calculated Property
McVol 139.080 ml/mol McGowan Calculated Property
Pc 3468.36 kPa Joback Calculated Property
Tboil 659.22 K Joback Calculated Property
Tc 916.43 K Joback Calculated Property

Similar Compounds

3-Ethoxycarbonylphenyl isothiocyanate. Benzoic acid, 3-isothiocyanato-. Benzoic acid, 3-amino-, methyl ester. 4-Methoxycarbonylphenyl isothiocyanate. Benzoic acid, 3-nitro-, methyl ester. 2-Carbomethoxyphenyl isocyanate. Benzoic acid, 3-(dimethylamino)-, methyl ester. 3-(CH3)2NC6H4COOCH3. Benzoic acid, 3-amino-, ethyl ester. Benzoic acid, 3-(acetylamino)-. Ethyl 3-nitrobenzoate. 2-Ethoxycarbonylphenyl isothiocyanate. Benzoic acid, 4-isothiocyanato-, ethyl ester. 1,2-Benzenedicarboxylic acid, 4-nitro-, dimethyl ester. Methyl 3,4-diaminobenzoate.

Find more compounds similar to 3-Methoxycarbonylphenyl isothiocyanate.

Sources

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