131747-40-5
5-(Trifluoromethyl)nicotinic acid
CAS: 131747-40-5
Molecular Formula: C7H4F3NO2
131747-40-5 - Names and Identifiers
131747-40-5 - Physico-chemical Properties
| Molecular Formula | C7H4F3NO2 |
| Molar Mass | 191.11 |
| Density | 1.484±0.06 g/cm3(Predicted) |
| Melting Point | 184-189℃ |
| Boling Point | 277.5±40.0 °C(Predicted) |
| Flash Point | 121.624°C |
| Vapor Presure | 0.002mmHg at 25°C |
| Appearance | White to yellow to brown powder |
| Color | Off-white |
| pKa | 3.04±0.10(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.475 |
| MDL | MFCD07774128 |
131747-40-5 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36 - Irritating to the eyes |
| Safety Description | 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN2811 |
| WGK Germany | 3 |
| Hazard Class | IRRITANT |
131747-40-5 - Introduction
5-Trifluoromethylnicotinic acid is an organic compound with the chemical formula C8H4F3NO4. The following is a description of its nature, use, formulation and safety information:
Nature:
1. Appearance: 5-Trifluoromethylnicotinic acid is a colorless to white crystalline solid.
2. Solubility: It has limited solubility in water and is more soluble in organic solvents such as ethanol and dimethyl sulfoxide (DMSO).
3. Melting point: Its melting point is about 147-150°C.
4. chemical properties: 5-trifluoromethyl nicotinic acid is a strong acid, can react with alkali to generate salt.
Use:
1. pharmaceutical field: the compound can be used as an important intermediate in drug synthesis, such as the synthesis of anti-tumor drugs.
2. Chemical synthesis: It can be used for organic synthesis reactions, such as esterification, condensation and ammonolysis reactions.
Preparation Method:
The common preparation methods of 5-trifluoromethylnicotinic acid include the following two types:
1. Trifluoroformic acid and 3-fluoro-2-nitrophenylborane react to obtain trifluoromethyl p-nitrobenzene; then, it reacts with carbonyl copper difluoride to generate trifluoromethyl bipyridine (main intermediate); finally, 5-trifluoromethyl nicotinic acid is obtained by alkali treatment.
2. Another method is to synthesize the compound by reacting trifluoromethyl p-nitrobenzene borate with formic anhydride.
Safety Information:
There is little data on the safety and toxicity of 5-trifluoromethylnicotinic acid, so it is necessary to follow general laboratory safety measures when using it.
1. Wear appropriate protective gloves and glasses to avoid direct contact.
2. avoid inhalation of its dust and steam.
3. in the indoor use to ensure good ventilation.
4. During handling and storage, avoid contact with oxidants and strong bases to avoid dangerous reactions.
5. if ingestion or direct contact, should immediately seek medical help, and give appropriate treatment.
This information is only a brief description of 5-trifluoromethylnicotinic acid. If you want to learn more, please refer to relevant references and reliable literature resources.
Nature:
1. Appearance: 5-Trifluoromethylnicotinic acid is a colorless to white crystalline solid.
2. Solubility: It has limited solubility in water and is more soluble in organic solvents such as ethanol and dimethyl sulfoxide (DMSO).
3. Melting point: Its melting point is about 147-150°C.
4. chemical properties: 5-trifluoromethyl nicotinic acid is a strong acid, can react with alkali to generate salt.
Use:
1. pharmaceutical field: the compound can be used as an important intermediate in drug synthesis, such as the synthesis of anti-tumor drugs.
2. Chemical synthesis: It can be used for organic synthesis reactions, such as esterification, condensation and ammonolysis reactions.
Preparation Method:
The common preparation methods of 5-trifluoromethylnicotinic acid include the following two types:
1. Trifluoroformic acid and 3-fluoro-2-nitrophenylborane react to obtain trifluoromethyl p-nitrobenzene; then, it reacts with carbonyl copper difluoride to generate trifluoromethyl bipyridine (main intermediate); finally, 5-trifluoromethyl nicotinic acid is obtained by alkali treatment.
2. Another method is to synthesize the compound by reacting trifluoromethyl p-nitrobenzene borate with formic anhydride.
Safety Information:
There is little data on the safety and toxicity of 5-trifluoromethylnicotinic acid, so it is necessary to follow general laboratory safety measures when using it.
1. Wear appropriate protective gloves and glasses to avoid direct contact.
2. avoid inhalation of its dust and steam.
3. in the indoor use to ensure good ventilation.
4. During handling and storage, avoid contact with oxidants and strong bases to avoid dangerous reactions.
5. if ingestion or direct contact, should immediately seek medical help, and give appropriate treatment.
This information is only a brief description of 5-trifluoromethylnicotinic acid. If you want to learn more, please refer to relevant references and reliable literature resources.
Last Update：2024-04-09 21:54:55
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