Chemical Properties of 4-Methyl-2-nitrophenyl isothiocyanate (CAS 17614-74-3)

4-Methyl-2-nitrophenyl isothiocyanate

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InChI
InChI=1S/C8H6N2O2S/c1-6-2-3-7(9-5-13)8(4-6)10(11)12/h2-4H,1H3
InChI Key
CUQUTWSUXWDJKF-UHFFFAOYSA-N
Formula
C8H6N2O2S
SMILES
Cc1ccc(N=C=S)c([N+](=O)[O-])c1
Molecular Weight1
194.21
CAS
17614-74-3
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Physical Properties

Property Value Unit Source
ω 0.5259 Relay (... Calculated Property
ΔfG° 290.29 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas 230.47 kJ/mol Relay (... Calculated Property
ΔvapH° 67.73 kJ/mol Relay (... Calculated Property
IE 8.67 eV Relay (... Calculated Property
log10WS -4.00 Relay (... Calculated Property
logPoct/wat 2.638 Crippen Calculated Property
McVol 134.970 ml/mol McGowan Calculated Property
Pc 3668.65 kPa Joback Calculated Property
Tboil 549.49 K Relay (... Calculated Property
Tc 828.07 K Relay (... Calculated Property
Tfus 344.09 K Relay (... Calculated Property
Vc 0.450 m3/kmol Relay (... Calculated Property

Similar Compounds

Benzene, 4-methyl-1,2-dinitro-. Benzenamine, 4-methyl-2-nitro-. Benzene, 1-methyl-3-nitro-. Benzene, 1-methyl-2,3-dinitro-. 3-Nitrobenzyl radical. 2-Methyl-6-nitroaniline. Benzene, 1,4-dimethyl-2-nitro-. 4-Bromo-3-nitrotoluene. 2-Methyl-4-nitrophenyl isothiocyanate. 4-Iodo-3-nitrotoluene. Benzene, 1-(chloromethyl)-3-nitro-. 2-Naphthalenol, 1-[(4-methyl-2-nitrophenyl)azo]-. Benzene, 1-(bromomethyl)-3-nitro-. Benzene, 1,2-dimethyl-4-nitro-. Benzene, 1-methyl-2,4,5-trinitro-.

Find more compounds similar to 4-Methyl-2-nitrophenyl isothiocyanate.

Sources

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