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| CAS No.: | 288-94-8 |
|---|---|
| Name: | Tetrazole |
| Article Data: | 144 |
| Molecular Structure: | |
|
|
|
| Formula: | CH2N4 |
| Molecular Weight: | 70.0537 |
| Synonyms: | 1H-Tetrazole(8CI,9CI);1H-TZ;NSC 36712;Tetraazacyclopentadiene;1H-Tetrazole; |
| EINECS: | 206-023-4 |
| Density: | 1.477 g/cm3 |
| Melting Point: | 156-158 °C |
| Boiling Point: | 220.233 °C at 760 mmHg |
| Flash Point: | 114.573 °C |
| Solubility: | soluble in water |
| Appearance: | white crystals or crystalline powder |
| Hazard Symbols: |
 F, Xn
|
| Risk Codes: | 11-20/21/22-36-5-4 |
| Safety: | 16-26-36 |
| Transport Information: | UN 1993 3/PG 2 |
| PSA: | 54.46000 |
| LogP: | -0.80030 |
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| Conditions | Yield |
|---|---|
| With sodium azide; ammonium chloride; acetic acid at 90℃; for 10h; | 91.55% |
| Stage #1: orthoformic acid triethyl ester With hydrogenchloride; sodium azide; ammonia; pyridine hydrochloride; acetic acid at 90℃; for 12h; Stage #2: With water; sodium hydroxide at 20℃; | 71% |
| With sodium azide; ammonium chloride; acetic acid at 95℃; for 18h; | 60.5% |
| Conditions | Yield |
|---|---|
| With sodium azide; triethylamine hydrochloride In N,N-dimethyl-formamide at 130℃; for 4h; Microwave irradiation; Inert atmosphere; | 85% |
| Conditions | Yield |
|---|---|
| With hypophosphorous acid; sodium nitrite |
- 14213-13-9
4-tetrazol-1-yl-phenylamine
- 288-94-8
1H-tetrazole
| Conditions | Yield |
|---|---|
| With sulfuric acid; permanganate(VII) ion |
| Conditions | Yield |
|---|---|
| With hydrogen azide; ethanol at 100℃; | |
| With hydrogen azide; water at 70 - 80℃; | |
| With tris-(2-chloro-ethyl)-amine; benzene at 110℃; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium azide at 110℃; |
- 288-94-8
1H-tetrazole
| Conditions | Yield |
|---|---|
| With water at 85℃; Rate constant; pH 2.07 - 12.47; |
- 288-94-8
1H-tetrazole
| Conditions | Yield |
|---|---|
| With permanganate(VII) ion; acetic acid Man kocht die nach Entfernung des Braunsteins eingeengte Loesung mit verd. Salpetersaeure; |
- 288-94-8
1H-tetrazole
| Conditions | Yield |
|---|---|
| With sodium hydroxide; permanganate(VII) ion |
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Specification
The Tetrazole, with the CAS registry number 288-94-8, is also known as Tetraazacyclopentadiene. It belongs to the product categories of Tetrazoles; Other Reagents; Chemistry; Peptide Synthesis; Solvents and Mixtures for Peptide Synthesis; Specialty Synthesis; Biotech Solvents Solvents; Solvent Bottles; Solvents. Its EINECS number is 206-023-4. This chemical's molecular formula is CH2N4 and molecular weight is 70.05. What's more, its systematic name is 2H-Tetrazole. This chemical is used as a peptide coupling agent. Tetrazole was first prepared by the reaction of anhydrous hydrazoic acid and hydrogen cyanide under pressure.
Physical properties of Tetrazole are: (1)ACD/LogP: -0.6; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.41; (4)ACD/LogD (pH 7.4): -2.52; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.73; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.46 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 14.96 cm3; (15)Molar Volume: 47.427 cm3; (16)Polarizability: 5.931×10-24cm3; (17)Surface Tension: 98.3 dyne/cm; (18)Density: 1.477 g/cm3; (19)Flash Point: 114.573 °C; (20)Enthalpy of Vaporization: 45.665 kJ/mol; (21)Boiling Point: 220.233 °C at 760 mmHg; (22)Vapour Pressure: 0.1 mmHg at 25°C.
Uses of Tetrazole: it can be used to produce 1-vinyl-1H-tetrazole at the temperature of 50 °C. It will need reagents mercurous acetate, H2SO4 with the reaction time of 20 hours. The yield is about 60%.
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It is harmful by inhalation, in contact with skin and if swallowed. This substance is irritating to eyes. When heating, it may cause an explosion. It forms very sensitive explosive metallic compounds. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: n1nnnc1
(2)Std. InChI: InChI=1S/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)
(3)Std. InChIKey: KJUGUADJHNHALS-UHFFFAOYSA-N
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