3H-1,2,3-Triazolo[4,5-b]pyridine supplier

Name
1H-1,2,3-TRIAZOLO[4,5-B]PYRIDINE
EINECS
CAS No. 273-34-7
Article Data11
CAS DataBase
Density 1.472 g/cm³
Solubility
Melting Point 208 °C (dec.)(lit.)
Formula C₅H₄N₄
Boiling Point 303.4 °C at 760 mmHg
Molecular Weight 120.114
Flash Point 152.9 °C
Transport Information
Appearance
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 54.46000
LogP 0.35290

3H-1,2,3-Triazolo[4,5-b]pyridine 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

Product Name

1H-1,2,3-TRIAZOLO[4,5-B]PYRIDINE

3H-1,2,3-Triazolo[4,5-b]pyridine Specification

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