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CAS No.: | 84406-63-3 |
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Name: | 2H-1,2,3-Triazole,4-nitro-(9CI) |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C2H2N4O2 |
Molecular Weight: | 114.063 |
Synonyms: | 4-Nitro-1,2,3-triazole;4-Nitro-2H-[1,2,3]triazole;2H-1,2,3-Triazole,4-nitro-(9CI); |
EINECS: | 820-271-6 |
Density: | 1.727 g/cm3 |
Melting Point: | 160-161 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 356.1 °C at 760 mmHg |
Flash Point: | 169.2 °C |
PSA: | 87.39000 |
LogP: | 0.23610 |
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The CAS register number of 2H-1,2,3-Triazole,4-nitro-(9CI) is 84406-63-3. It also can be called as 2H-1,2,3-Triazole,4-nitro- and the systematic name about this chemical is 4-nitro-2H-1,2,3-triazole. The molecular formula about this chemical is C2H2N4O2 and the molecular weight is 114.06. It belongs to the Nitro.
Physical properties about 2H-1,2,3-Triazole,4-nitro-(9CI) are: (1)ACD/LogP: -0.56; (2)ACD/LogD (pH 5.5): -0.58; (3)ACD/LogD (pH 7.4): -1.87; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.5; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 76.53Å2; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 23.41 cm3; (14)Molar Volume: 66 cm3; (15)Polarizability: 9.28x10-24cm3; (16)Surface Tension: 103.5 dyne/cm; (17)Enthalpy of Vaporization: 57.76 kJ/mol; (18)Boiling Point: 356.1 °C at 760 mmHg; (19)Vapour Pressure: 6.13E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1nnnc1
(2)InChI: InChI=1/C2H2N4O2/c7-6(8)2-1-3-5-4-2/h1H,(H,3,4,5)
(3)InChIKey: YXFWFUSVDJIVIV-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C2H2N4O2/c7-6(8)2-1-3-5-4-2/h1H,(H,3,4,5)
(5)Std. InChIKey: YXFWFUSVDJIVIV-UHFFFAOYSA-N