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