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| CAS No.: | 34177-12-3 |
|---|---|
| Name: | 5,6-DIPHENYL-as-TRIAZIN-3-OL |
| Molecular Structure: | |
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| Formula: | C15H11N3O |
| Molecular Weight: | 249.29 |
| Hazard Symbols: | 3 |
| Safety: | Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. |
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Chemistry
IUPAC Name: 5,6-diphenyl-2H-1,2,4-triazin-3-one
Empirical Formula: C15H11N3O
Molecular Weight: 249.2673g/mol
Structure of 5,6-Diphenyl-as-triazin-3(2H)-one (CAS NO.34177-12-3):
Index of Refraction: 1.662
Molar Refractivity: 74.04 cm3
Molar Volume: 199.9 cm3
Polarizability: 29.35×10-24cm3
Surface Tension: 50.8 dyne/cm
Density: 1.24 g/cm3
Flash Point: 241.9 °C
Enthalpy of Vaporization: 76.83 kJ/mol
Boiling Point: 476.4 °C at 760 mmHg
Vapour Pressure: 1.07E-09 mmHg at 25°C
Classification Code: Drug / Therapeutic Agent
Canonical SMILES: C1=CC=C(C=C1)C2=NC(=O)NN=C2C3=CC=CC=C3
InChI: InChI=1S/C15H11N3O/c19-15-16-13(11-7-3-1-4-8-11)14(17-18-15)12-9-5-2-6-10-12/h1-10H,(H,16,18,19)
InChIKey: VTOJJDGNQGCRLP-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | ipr-rat LD50:120 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 95 (1953),123. | ||
| 2. | ivn-mus LD50:100 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#05146 . | ||
| 3. | ivn-rbt LDLo:175 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 95 (1953),123. |
Safety Profile
Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Specification
5,6-Diphenyl-as-triazin-3(2H)-one , its cas register number is 34177-12-3. It also can be called 5,6-Diphenyl-1,2,4-triazin-3(2H)-one ; 5,6-Diphenyl-as-triazin-3(2H)-one ; AI3-15232 ; EINECS 224-833-6 .When 5,6-Diphenyl-as-triazin-3(2H)-one (CAS NO.34177-12-3) is heated to decomposition it emits toxic fumes of NOx.