21743-75-9
1H-tetrazol-5-acetic acid
CAS: 21743-75-9
Molecular Formula: C3H4N4O2
21743-75-9 - Names and Identifiers
| Name | 1H-tetrazol-5-acetic acid |
| Synonyms | TIMTEC-BB SBB010083 CHEMBRDG-BB 4002014 IFLAB-BB F1984-0199 TETRAZOLE-5-ACETIC ACID 1H-tetrazol-5-acetic acid 1H-Tetrazol-5-acetic acid 1H-TETRAZOLE-5-ACETIC ACID 1H-Tetrazole-5-acetic acid 2H-tetrazol-5-ylacetic acid (1H-TETRAZOL-5-YL)-ACETIC ACID |
| CAS | 21743-75-9 |
| EINECS | 244-563-2 |
| InChI | InChI=1/C3H4N4O2/c8-3(9)1-2-4-6-7-5-2/h1H2,(H,8,9)(H,4,5,6,7) |
| InChIKey | JUNAPQMUUHSYOV-UHFFFAOYSA-N |
21743-75-9 - Physico-chemical Properties
| Molecular Formula | C3H4N4O2 |
| Molar Mass | 128.09 |
| Density | 1.710±0.06 g/cm3(Predicted) |
| Melting Point | 180-183 °C (lit.) |
| Boling Point | 451.0±47.0 °C(Predicted) |
| Flash Point | 226.5°C |
| Vapor Presure | 6.4E-09mmHg at 25°C |
| pKa | 3.39±0.10(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.613 |
21743-75-9 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | UN 1325 4.1/PG III |
| WGK Germany | 3 |
| Hazard Class | IRRITANT |
| Packing Group | III |
21743-75-9 - Introduction
1H-tetrazol-5-acetic acid is an organic compound with the chemical formula C3H3N5O2. The following is a description of its nature, use, preparation and safety information:
Nature:
1H-tetrazol-5-acetic acid is a colorless crystalline or light yellow solid, soluble in water and alcohol. It is stable at room temperature, but decomposable at high temperatures. It is a neutral molecule and does not have obvious acidity.
Use:
1H-tetrazol-5-acetic acid is widely used in organic synthesis. It can be used as an intermediate for explosives and propellants for the synthesis of compounds containing five-membered rings. In addition, it can also be used as a pesticide and pharmaceutical intermediate, for example, for the synthesis of drugs containing a tetraaminoxazole group. In addition, due to its stability, it is also used in catalytic reactions.
Method:
1H-tetrazol-5-acetic acid has a variety of preparation methods, one of which is commonly used by the reaction of phosphorus pentachloride and nitric acid. The specific step involves reacting phosphorus pentachloride with nitric acid, then with ethanol, and finally with concentrated hydrochloric acid to obtain the target product.
Safety Information:
1H-tetrazol-5-acetic acid has not been classified as hazardous to human health or the environment. However, as a chemical, care should be taken to prevent inhalation, contact with skin and ingestion. During use and storage, contact with oxidants and strong acids should be avoided. Wear appropriate protective measures, such as protective gloves and goggles. Safety procedures should be observed when handling the compound.
Nature:
1H-tetrazol-5-acetic acid is a colorless crystalline or light yellow solid, soluble in water and alcohol. It is stable at room temperature, but decomposable at high temperatures. It is a neutral molecule and does not have obvious acidity.
Use:
1H-tetrazol-5-acetic acid is widely used in organic synthesis. It can be used as an intermediate for explosives and propellants for the synthesis of compounds containing five-membered rings. In addition, it can also be used as a pesticide and pharmaceutical intermediate, for example, for the synthesis of drugs containing a tetraaminoxazole group. In addition, due to its stability, it is also used in catalytic reactions.
Method:
1H-tetrazol-5-acetic acid has a variety of preparation methods, one of which is commonly used by the reaction of phosphorus pentachloride and nitric acid. The specific step involves reacting phosphorus pentachloride with nitric acid, then with ethanol, and finally with concentrated hydrochloric acid to obtain the target product.
Safety Information:
1H-tetrazol-5-acetic acid has not been classified as hazardous to human health or the environment. However, as a chemical, care should be taken to prevent inhalation, contact with skin and ingestion. During use and storage, contact with oxidants and strong acids should be avoided. Wear appropriate protective measures, such as protective gloves and goggles. Safety procedures should be observed when handling the compound.
Last Update：2024-04-09 21:04:16
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