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Basic Information
CAS No.: 64046-59-9
Name: 2-[(3-Methylphenyl)azo]-N-phenylacetamide
Molecular Structure:
Molecular Structure of 64046-59-9 (2-[(3-Methylphenyl)azo]-N-phenylacetamide)
Formula: C15H15 N3 O
Molecular Weight: 254.34
Synonyms: Acetamide,2-[(3-methylphenyl)azo]-N-phenyl- (9CI)
Density: 1.11g/cm3
Boiling Point: 444.5°C at 760 mmHg
Flash Point: 222.6°C
Safety: Experimental reproductive effects. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
PSA: 57.31000
LogP: 4.36690
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Chemistry

 Molecule structure of m-Tolylazoacetanilide (CAS NO.64046-59-9) :

IUPAC Name: 2-(3-methylphenyl)diazenyl-N-phenylacetamide 
Molecular Weight: 253.2991 g/mol
Molecular Formula: C15H15N3O 
Density: 1.11 g/cm3 
Boiling Point: 444.5 °C at 760 mmHg 
Flash Point: 222.6 °C
Index of Refraction: 1.586
Molar Refractivity: 76.4 cm3
Molar Volume: 227.6 cm3
Polarizability: 30.28*10-24 cm3
Surface Tension: 42.5 dyne/cm 
Enthalpy of Vaporization: 70.23 kJ/mol
Vapour Pressure: 4.27E-08 mmHg at 25 °C
XLogP3-AA: 3.4
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 253.121512
MonoIsotopic Mass: 253.121512
Topological Polar Surface Area: 53.8
Heavy Atom Count: 19
Complexity: 311
Canonical SMILES: CC1=CC(=CC=C1)N=NCC(=O)NC2=CC=CC=C2
InChI: InChI=1S/C15H15N3O/c1-12-6-5-9-14(10-12)18-16-11-15(19)17-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,19)
InChIKey of m-Tolylazoacetanilide (CAS NO.64046-59-9) : AFPFPNPSDVFOGE-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat TDLo:4700 mg/kg/52W-C:ETA,REP

     JNCIAM    Journal of the National Cancer Institute. 24 (1960),149.

Safety Profile

Experimental reproductive effects. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.

Specification

 m-Tolylazoacetanilide (CAS NO.64046-59-9) is also called Acetanilide, m-tolylazo- .