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16033-21-9

Basic Information
CAS No.: 16033-21-9
Name: 3-Methyl-1-phenyltriazene
Article Data: 3
Molecular Structure:
Molecular Structure of 16033-21-9 (3-Methyl-1-phenyltriazene)
Formula: C7H9 N3
Molecular Weight: 135.169
Synonyms: Triazene,1-methyl-3-phenyl- (6CI,7CI,8CI); 1-Methyl-3-phenyltriazene;3-Methyl-1-phenyltriazene; Methylphenyltriazene; NSC 136056; PMMT
Density: 1.04g/cm3
Boiling Point: 194.4°Cat760mmHg
Flash Point: 71.3°C
Safety: Poison by subcutaneous route. Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 36.75000
LogP: 2.29560
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Chemistry

Molecule structure of 3-Methyl-1-phenyltriazene (CAS NO.16033-21-9) :

IUPAC Name: N-methyldiazenylaniline 
Molecular Weight: 135.16646 g/mol
Molecular Formula: C7H9N3 
Density: 1.04 g/cm3 
Boiling Point: 194.4 °C at 760 mmHg 
Flash Point: 71.3 °C
Index of Refraction: 1.548
Molar Refractivity: 41.23 cm3
Molar Volume: 129.7 cm3
Polarizability: 16.34*10-24 cm3
Surface Tension: 37.6 dyne/cm 
Enthalpy of Vaporization: 43.06 kJ/mol
Vapour Pressure: 0.443 mmHg at 25 °C
XLogP3-AA: 2.4
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 135.079647
MonoIsotopic Mass: 135.079647
Topological Polar Surface Area: 36.8
Heavy Atom Count: 10
Complexity: 105
Canonical SMILES: CN=NNC1=CC=CC=C1
InChI: InChI=1S/C7H9N3/c1-8-10-9-7-5-3-2-4-6-7/h2-6H,1H3,(H,8,9)
InChIKey of 3-Methyl-1-phenyltriazene (CAS NO.16033-21-9) : MPEZFYGMDYORDA-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 100 µmol/L

    CNREA8    Cancer Research. 42 (1982),1446.
2.    

mma-sat 1 mmol/L

    CNREA8    Cancer Research. 42 (1982),1446.
3.    

mmo-nsc 600 µmol/L

    MUREAV    Mutation Research. 13 (1971),276.
4.    

dnd-ofs-sal:spr 250 g/L

    BCPCA6    Biochemical Pharmacology. 19 (1970),1505.
5.    

orl-rat LD50:420 mg/kg

    NEOLA4    Neoplasma. 25 (1978),153.
6.    

scu-mus LDLo:45 mg/kg

    CNREA8    Cancer Research. 34 (1974),1671.

Safety Profile

Poison by ingestion and subcutaneous routes. Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Specification

 3-Methyl-1-phenyltriazene (CAS NO.16033-21-9) is also called 1-Methyl-3-phenyltriazene ; 1-Phenyl-3-methyltriazine ; 1-Phenyl-3-monomethyltriazene ; 3-Methyl-1-phenyltriazine ; Methylphenyltriazene ; NSC 136056 ; PMMT ; PMT ; Phenylmonomethyltriazene ; Triazene, 3-methyl-1-phenyl- ; Triazene, 3-monomethyl-1-phenyl- .