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| CAS No.: | 5756-69-4 |
|---|---|
| Name: | 1-PHENYL-3-METHYL-3-HYDROXYTRIAZENE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H9 N3 O |
| Molecular Weight: | 151.168 |
| Synonyms: | 1-Triazene,3-hydroxy-3-methyl-1-phenyl- (9CI); Triazene, 3-hydroxy-3-methyl-1-phenyl-(6CI,7CI,8CI); 1-Phenyl-3-methyl-3-hydroxytriazene |
| Density: | 1.13g/cm3 |
| Melting Point: | 69°C |
| Boiling Point: | 248.9°Cat760mmHg |
| Flash Point: | 104.3°C |
| Safety: | Moderately toxic by subcutaneous route. Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 48.19000 |
| LogP: | 2.00630 |
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Chemistry
Product Name: 3-Hydroxy-3-methyl-1-phenyltriazene (CAS NO.5756-69-4)
Molecular Formula: C7H9N3O
Molecular Weight: 151.19g/mol
Mol File: 5756-69-4.mol
Boiling point: 248.9 °C at 760 mmHg
Flash Point: 104.3 °C
Density: 1.13 g/cm3
Surface Tension: 43.2 dyne/cm
Enthalpy of Vaporization: 51.36 kJ/mol
Vapour Pressure: 0.0125 mmHg at 25°C
XLogP3-AA: 2.1
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of 3-Hydroxy-3-methyl-1-phenyltriazene (CAS NO.5756-69-4):
IUPAC Name: N-methyl-N-phenyldiazenylhydroxylamine
Canonical SMILES: CN(N=NC1=CC=CC=C1)O
InChI: InChI=1S/C7H9N3O/c1-10(11)9-8-7-5-3-2-4-6-7/h2-6,11H,1H3
InChIKey: NZZQYTAPSBWNOV-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | scu-rat TDLo:420 mg/kg:CAR | ZKKOBW Zeitschrift fuer Krebsforschung und Klinische Onkologie. 81 (1974),285. | ||
| 2. | scu-rat LD50:550 mg/kg | ZKKOBW Zeitschrift fuer Krebsforschung und Klinische Onkologie. 81 (1974),285. |
Safety Profile
Moderately toxic by subcutaneous route. Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx.
Specification
3-Hydroxy-3-methyl-1-phenyltriazene , its CAS NO. is 5756-69-4, the synonyms are 1-Phenyl-3-methyl-3-hydroxy-triazene ; 3-Hydroxy-3-methyl-1-phenyltriazene ; 4-16-00-00939 (Beilstein Handbook Reference) ; BRN 0956995 ; Triazene, 3-hydroxy-3-methyl-1-phenyl- .