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| CAS No.: | 274-59-9 |
|---|---|
| Name: | 1,2,3-TRIAZOLO(1,5-A)PYRIDINE |
| Molecular Structure: | |
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|
|
| Formula: | C6H5N3 |
| Molecular Weight: | 119.126 |
| Synonyms: | s-Triazolo[1,5-a]pyridine(6CI,7CI,8CI);2,3-Diazaindolizine;NSC 839;Triazolo[1,5-a]pyridine;s-Triazolo(1,5-a)pyridine;MFCD00185587; |
| Density: | 1.29 g/cm3 |
| Melting Point: | 39-40 ºC |
| Boiling Point: | 106-109 °C(Press: 0.6 Torr) |
| Hazard Symbols: |
 Xi, C
|
| Risk Codes: | 34 |
| Safety: | 26-27-36/37/39-45 |
| PSA: | 30.19000 |
| LogP: | 0.72930 |
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Specification
The [1,2,3]Triazolo[1,5-a]pyridine, with the CAS registry number 274-59-9, is also known as 2,3-Diazaindolizine. This chemical's molecular formula is C6H5N3 and molecular weight is 119.12. What's more, its IUPAC name is triazolo[1,5-a]pyridine.
Physical properties of [1,2,3]Triazolo[1,5-a]pyridine are: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 30.19 Å2; (7)Index of Refraction: 1.689; (8)Molar Refractivity: 35.15 cm3; (9)Molar Volume: 92 cm3; (10)Polarizability: 13.93×10-24cm3; (11)Surface Tension: 54.4 dyne/cm; (12)Density: 1.29 g/cm3.
Preparation: this chemical can be prepared by pyridine-2-carbaldehyde hydrazone at the temperature of 20 °C. This reaction will need reagent PhI(OAc)2 and solvent CH2Cl2 with the reaction time of 30 min. It's a reaction of cyclization. The yield is about 83%.
Uses of [1,2,3]Triazolo[1,5-a]pyridine: it can be used to produce pyridin-2-yl-methanol at the temperature of 95 °C. It will need reagent 2.5M H2SO4 and solvent H2O with the reaction time of 5 hours. The yield is about 78%.
When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=CN=NN2C=C1
(2)InChI: InChI=1S/C6H5N3/c1-2-4-9-6(3-1)5-7-8-9/h1-5H
(3)InChIKey: AQWOIRBQLOOZGX-UHFFFAOYSA-N