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| CAS No.: | 14389-12-9 |
|---|---|
| Name: | 5-(4-PYRIDYL)-1H-TETRAZOLE |
| Molecular Structure: | |
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| Formula: | C6H5N5 |
| Molecular Weight: | 147.139 |
| Synonyms: | Pyridine,4-(1H-tetrazol-5-yl)- (8CI,9CI);Pyridine, 4-(tetrazol-5-yl)- (6CI,7CI);4-(Tetrazol-5-yl)pyridine;5-(4-Pyridinyl)tetrazole;5-(4-Pyridyl)-1H-tetrazole;5-(4-Pyridyl)tetrazole;5-(4'-Pyridyl)tetrazole; |
| Density: | 1.388 g/cm3 |
| Melting Point: | 265 °C |
| Boiling Point: | 390.341 °C at 760 mmHg |
| Flash Point: | 198.684 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 22-36/37/39-26 |
| PSA: | 67.35000 |
| LogP: | 0.26170 |
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Specification
The Pyridine,4-(2H-tetrazol-5-yl)-, with the CAS registry number 14389-12-9, is also known as 4-(5-Tetrazolyl) pyridine. This chemical's molecular formula is C6H5N5 and molecular weight is 147.1374. Its IUPAC name is called 4-(2H-tetrazol-5-yl)pyridine. The product should be sealed and stored in well-ventilated place.
Physical properties of Pyridine,4-(2H-tetrazol-5-yl)-: (1)ACD/LogP: 0.57; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.481; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.629; (10)Molar Refractivity: 37.643 cm3; (11)Molar Volume: 105.936 cm3; (12)Surface Tension: 80.006 dyne/cm; (13)Density: 1.389 g/cm3; (14)Flash Point: 198.684 °C; (15)Enthalpy of Vaporization: 63.98 kJ/mol; (16)Boiling Point: 390.341 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.
Preparation: this chemical can be prepared by isonicotinonitrile. This reaction will need reagent NaN3, NH4Cl and solvent dimethylformamide. The reaction time is 0.5 hours with reaction temperature of 100 - 105 °C. The yield is about 78%.
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Uses of Pyridine,4-(2H-tetrazol-5-yl)-: it can be used to produce 4-[5-(2-fluoro-phenyl)-[1,3,4]oxadiazol-2-yl]-pyridine. The yield is about 95%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CN=CC=C1C2=NNN=N2
(2)InChI: InChI=1S/C6H5N5/c1-3-7-4-2-5(1)6-8-10-11-9-6/h1-4H,(H,8,9,10,11)
(3)InChIKey: JMILUUVWLRKJFB-UHFFFAOYSA-N