399-76-8
5-fluoro-1H-indole-2-carboxylic acid
CAS: 399-76-8
Molecular Formula: C9H6FNO2
399-76-8 - Names and Identifiers
| Name | 5-fluoro-1H-indole-2-carboxylic acid |
| Synonyms | AKOS JY2082860 TIMTEC-BB SBB010058 2-CARBOXY-5-FLUOROINDOLE 5-Fluor-1H-indol-2-carbonsure 5-FLUOROINDOLE-2-CARBOXYLIC ACID 5-fluoro-1H-indole-2-carboxylate 5-Fluoroindole-2-carboxylic acid 5-fluoro-1H-indole-2-carboxylic acid 5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID |
| CAS | 399-76-8 |
| EINECS | 206-919-5 |
| InChI | InChI=1/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)/p-1 |
| InChIKey | WTXBRZCVLDTWLP-UHFFFAOYSA-N |
399-76-8 - Physico-chemical Properties
| Molecular Formula | C9H6FNO2 |
| Molar Mass | 179.15 |
| Density | 1.3231 (estimate) |
| Melting Point | 259°C (dec.)(lit.) |
| Boling Point | 422.2±25.0 °C(Predicted) |
| Flash Point | 209.1°C |
| Water Solubility | Insoluble |
| Vapor Presure | 7.01E-08mmHg at 25°C |
| Appearance | Crystalline Powder |
| Color | Yellow-brown |
| BRN | 153217 |
| pKa | 4.27±0.30(Predicted) |
| Storage Condition | Inert atmosphere,2-8°C |
| MDL | MFCD00005612 |
399-76-8 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R15 - Contact with water liberates extremely flammable gases R10 - Flammable |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S43 - In case of fire use ... (there follows the type of fire-fighting equipment to be used.) S36 - Wear suitable protective clothing. S7/8 - |
| WGK Germany | 3 |
| HS Code | 29339900 |
| Hazard Class | IRRITANT |
399-76-8 - Introduction
It is an organic compound with a chemical formula of C9H6FNO2 and a molecular weight of 179.15. It is a white solid with a slight fishy smell at room temperature.
Regarding its nature, acid is soluble in most organic solvents, such as alcohols, ethers and chlorinated hydrocarbons, but is difficult to dissolve in water. It can be oxidized to the corresponding ketone under oxidizing conditions. In addition, the compound is also sensitive to light.
One of the main uses of the inorganic acid is as an intermediate for organic pesticides and fungicides. It can be used to synthesize compounds with pesticide or fungicide activity, such as picodobacterium and the like. In addition, it can also be used in research and synthesis in the field of medicine, such as the synthesis of specific drug precursors.
A common method for preparing a fluorination acid is through the fluorination of indole. First, under suitable reaction conditions, the indole is reacted with a fluorinating agent such that one of the hydrogen atoms on the indole is replaced by a fluorine atom to form 5-fluoroindole. Then, the 5-fluoroindole was subjected to a formylation reaction to obtain the final product, oxadiazole.
Regarding safety information, acid requires attention to protective measures when handling or using. It may cause irritation and harm to the human body. Contact with the skin or inhalation of its dust may cause irritation to the eyes, respiratory tract and skin. Therefore, use should wear appropriate protective gloves, glasses and masks. Keep away from ignition and oxidizing agents during storage and handling.
Regarding its nature, acid is soluble in most organic solvents, such as alcohols, ethers and chlorinated hydrocarbons, but is difficult to dissolve in water. It can be oxidized to the corresponding ketone under oxidizing conditions. In addition, the compound is also sensitive to light.
One of the main uses of the inorganic acid is as an intermediate for organic pesticides and fungicides. It can be used to synthesize compounds with pesticide or fungicide activity, such as picodobacterium and the like. In addition, it can also be used in research and synthesis in the field of medicine, such as the synthesis of specific drug precursors.
A common method for preparing a fluorination acid is through the fluorination of indole. First, under suitable reaction conditions, the indole is reacted with a fluorinating agent such that one of the hydrogen atoms on the indole is replaced by a fluorine atom to form 5-fluoroindole. Then, the 5-fluoroindole was subjected to a formylation reaction to obtain the final product, oxadiazole.
Regarding safety information, acid requires attention to protective measures when handling or using. It may cause irritation and harm to the human body. Contact with the skin or inhalation of its dust may cause irritation to the eyes, respiratory tract and skin. Therefore, use should wear appropriate protective gloves, glasses and masks. Keep away from ignition and oxidizing agents during storage and handling.
Last Update：2024-04-09 21:54:55
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View History
399-76-8
934-48-5
498-24-8
1609-47-8
CW 069
Desmethylanhydroicaritin
TPPYBA-A
SXS
acidesebacique
Benzene sulfonic acid
934-48-5
498-24-8
1609-47-8
CW 069
Desmethylanhydroicaritin
TPPYBA-A
SXS
acidesebacique
Benzene sulfonic acid