IUPAC Name: methyl [2-methyl-4-(2-methylphenyl)diazenylphenyl] carbonate
Molecular Formula: C16H16N2O3
Molecular Weight: 284.309840 g/mol
Canonical SMILES: CC1=CC=CC=C1N=NC2=CC(=C(C=C2)OC(=O)OC)C
InChI: InChI=1S/C16H16N2O3/c1-11-6-4-5-7-14(11)18-17-13-8-9-15(12(2)10-13)21-16(19)20-3/h4-10H,1-3H3
XLogP3-AA: 4.6
H-Bond Acceptor: 5
Rotatable Bond Count: 5
Exact Mass: 284.116092
MonoIsotopic Mass: 284.116092
Topological Polar Surface Area: 60.2
Heavy Atom Count: 21
Complexity: 373
Covalently-Bonded Unit Count: 1
Classification Code: Tumor data
Index of Refraction: 1.555
Molar Refractivity: 80.36 cm3
Molar Volume: 250.2 cm3
Polarizability: 31.86 ×10-24cm3
Surface Tension: 38.5 dyne/cm
Density: 1.13 g/cm3
Flash Point: 195.1 °C
Enthalpy of Vaporization: 70.09 kJ/mol
Boiling Point: 443.3 °C at 760 mmHg
Vapour Pressure of Carbonic acid, methyl 4-(o-tolylazo)-o-tolyl ester (CAS NO.63042-08-0): 4.68E-08 mmHg at 25 °C
1. | orl-rat TDLo:27 g/kg/43 W-C:ETA | GANNA2 Gann. Japanese Journal of Cancer Research. 33 (1939),196. |
Questionable carconigen with experimental tumorigenic data. When heated to decomposition Carbonic acid, methyl 4-(o-tolylazo)-o-tolyl ester (CAS NO.63042-08-0) emits toxic fumes of NOx.
Carbonic acid, methyl 4-(o-tolylazo)-o-tolyl ester (CAS NO.63042-08-0) can be called 2,3'-Dimethylazobenzene-4'-methylcarbonate ; 4'-Carbomethoxy-2,3'-dimethylazobenzene ; 4'-Carbomethoxy-2,3'-dimethylazobenzol ; Methyl 4-(o-tolylazo)-o-tolyl carbonate .
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