Empirical Formula of 5-Nitrobenzotriazole (CAS NO.2338-12-7): C6H4N4O2
Molecular Weight: 164.1216 g/mol
EINECS: 219-047-5
Index of Refraction: 1.761
Density: 1.638 g/cm3
Flash Point: 191.3 °C
Enthalpy of Vaporization: 64.24 kJ/mol
Boiling Point: 392.7 °C at 760 mmHg
Vapour Pressure: 2.25E-06 mmHg at 25 °C
Melting point: 206-207 °C(lit.)
Structure of 5-Nitrobenzotriazole (CAS NO.2338-12-7):
IUPAC Name: 5-Nitro-2H-benzotriazole
Canonical SMILES: C1=CC2=NNN=C2C=C1[N+](=O)[O-]
InChI: InChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)
InChIKey: AOCDQWRMYHJTMY-UHFFFAOYSA-N
1. | ipr-mus LDLo:250 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#00275 . | ||
2. | ivn-mus LD50:178 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#00275 . |
Reported in EPA TSCA Inventory.
Poison by intraperitoneal and intravenous routes. An explosive. When heated to decomposition 5-Nitrobenzotriazole (CAS NO.2338-12-7) emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
Risk Statements: 3-8
R3:Extreme risk of explosion by shock, friction, fire or other sources of ignition.
R8 :Contact with combustible material may cause fire.
Safety Statements: 16-17-36/37/39
S16:Keep away from sources of ignition.
S17:Keep away from combustible material.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
DOT Classification: EXPLOSIVE 1.1D; Label: EXPLOSIVE 1.1D
5-Nitrobenzotriazole , its cas register number is 2338-12-7. It also can be called 5-Nitrobenzo-1,2,3-triazole ; 6-Nitro-1H-benzotriazole ; and 1H-Benzotriazole, 5-nitro- .
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