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63042-08-0

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Basic Information
CAS No.: 63042-08-0
Name: Carbonic acid methyl 4-(2-methylphenylazo)-2-methylphenyl ester
Molecular Structure:
Molecular Structure of 63042-08-0 (Carbonic acid methyl 4-(2-methylphenylazo)-2-methylphenyl ester)
Formula: C16H16N2O3
Molecular Weight: 284.34
Synonyms: 4'-Carbomethoxy-2,3'-dimethylazobenzol;methyl 2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl carbonate;CARBONIC ACID,METHYL 4-(o-TOLYLAZO)-o-TOLYL ESTER;4'-Carbomethoxy-2,3'-dimethylazobenzene;2,3'-Dimethylazobenzene-4'-methylcarbonate;Methyl 4-(o-tolylazo)-o-tolyl carbonate;
Density: 1.13g/cm3
Boiling Point: 443.3°C at 760 mmHg
Flash Point: 195.1°C
Safety: Questionable carconigen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
PSA: 60.25000
LogP: 4.86400
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Chemistry

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

Toxicity Data With Reference

1.    

orl-rat TDLo:27 g/kg/43 W-C:ETA

     GANNA2    Gann. Japanese Journal of Cancer Research. 33 (1939),196.

Safety Profile

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.

Specification

 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 .