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| CAS No.: | 273-34-7 |
|---|---|
| Name: | 1H-1,2,3-TRIAZOLO[4,5-B]PYRIDINE |
| Molecular Structure: | |
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|
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| Formula: | C5H4N4 |
| Molecular Weight: | 120.114 |
| Synonyms: | 1H-1,2,3-Triazolo[4,5-b]pyridine(9CI);1H-v-Triazolo[4,5-b]pyridine (6CI,7CI,8CI);1H-Pyrido[2,3-d]-1,2,3-triazole;1H-Pyrido[2,3-d]-v-triazole;2,7-Diaza-1H-benzimidazole;2,7-Diazabenzimidazole;NSC 64288;[1,2,3]Triazolo[4,5-b]pyridine;2H-[1,2,3]triazolo[4,5-b]pyridine;1H-[1,2,3]Triazolo[4,5-b]pyridine;1H-1,2,3-Triazolo[4,5-b]pyridine;3H-[1,2,3]Triazolo[4,5-b]pyridine; |
| Density: | 1.472 g/cm3 |
| Melting Point: | 208 °C (dec.)(lit.) |
| Boiling Point: | 303.4 °C at 760 mmHg |
| Flash Point: | 152.9 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 54.46000 |
| LogP: | 0.35290 |
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Specification
The 3H-1,2,3-Triazolo[4,5-b]pyridine, with the CAS registry number 273-34-7, has the systematic name of 2H-[1,2,3]triazolo[4,5-b]pyridine. It belongs to the following product categories: API intermediates; Benzotriazoles Building Blocks; Building Blocks; Heterocyclic Building Blocks; Triazoles. And the molecular formula of the chemical is C5H4N4.
The characteristics of 3H-1,2,3-Triazolo[4,5-b]pyridine are as followings: (1)ACD/LogP: -0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 22.38; (6)ACD/KOC (pH 7.4): 6.74; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 43.6 Å2; (11)Index of Refraction: 1.737; (12)Molar Refractivity: 32.8 cm3; (13)Molar Volume: 81.5 cm3; (14)Polarizability: 13×10-24cm3; (15)Surface Tension: 92.8 dyne/cm; (16)Density: 1.472 g/cm3; (17)Flash Point: 152.9 °C; (18)Enthalpy of Vaporization: 54.37 kJ/mol; (19)Boiling Point: 303.4 °C at 760 mmHg; (20)Vapour Pressure: 0.000931 mmHg at 25°C.
Uses of 3H-1,2,3-Triazolo[4,5-b]pyridine: It can react with 4-chloro-3-nitro-pyridine to produce 3-(3-nitro-pyridin-4-yl)-3H-[1,2,3]triazolo[4,5-b]pyridine. This reaction will need reagent Na2CO3, and the menstruum dimethylsulfoxide. The reaction time is 5 hours with temperature of 60°C, and the yield is about 72%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1cccc2nnnc12
(2)InChI: InChI=1/C5H4N4/c1-2-4-5(6-3-1)8-9-7-4/h1-3H,(H,6,7,8,9)
(3)InChIKey: VQNDBXJTIJKJPV-UHFFFAOYAW