1H-indole-3-carboxylic acid
Indole-3-carboxylic acid
CAS: 771-50-6
Molecular Formula: C9H7NO2
1H-indole-3-carboxylic acid - Names and Identifiers
| Name | Indole-3-carboxylic acid |
| Synonyms | e-3-carboxyL RARECHEM AL BO 0353 3-Indoleformic acid Indole-3-carboxylic TIMTEC-BB SBB003952 Indole-3-CarboxylicA 3-Indolecarboxylic acid 1H-indole-3-carboxylate Indole-3-carboxylic acid 1H-indole-3-carboxylic acid INDOLE-3-CARBOXYLIC ACID pure Indole-3-carboxylic acid (8CI) INDOLE-3-CARBOXYLIC ACID(I3CA) |
| CAS | 771-50-6 |
| EINECS | 212-231-6 |
| InChI | InChI=1/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)/p-1 |
| InChIKey | KMAKOBLIOCQGJP-UHFFFAOYSA-N |
1H-indole-3-carboxylic acid - Physico-chemical Properties
| Molecular Formula | C9H7NO2 |
| Molar Mass | 161.16 |
| Density | 1.2480 (rough estimate) |
| Melting Point | 232-234°C (dec.)(lit.) |
| Boling Point | 287.44°C (rough estimate) |
| Flash Point | 207.6°C |
| Solubility | Soluble in 95% Ethanol: 50 mg/ml, also soluble in methanol. |
| Vapor Presure | 8.6E-08mmHg at 25°C |
| Appearance | Bright light brown powder |
| Color | Light beige |
| BRN | 129435 |
| pKa | 3.90±0.10(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.5050 (estimate) |
| MDL | MFCD00005624 |
| Physical and Chemical Properties | Properties crystalline powder (recrystallized from acetate-petroleum ether). melting point 210~218 ℃ solubility: soluble in ethanol, ether, acetate, insoluble in boiling water, benzene, insoluble in petroleum ether. |
| Use | Pharmaceutical intermediates for the synthesis of tropisetron, antiviral drugs |
1H-indole-3-carboxylic acid - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R21/22 - Harmful in contact with skin and if swallowed. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| RTECS | NK7882892 |
| HS Code | 29339900 |
| Hazard Class | IRRITANT |
1H-indole-3-carboxylic acid - Reference Information
| Introduction | at present, 3-indolecarboxylic acid is used as an intermediate in medicine for the synthesis of tropisetron and antiviral drugs, 3-indolecarboxylic acid is becoming more and more important in the pharmaceutical manufacturing industry. |
| Use | 3-indolecarboxylic acid is a specific competitive inhibitor of glycine enhancement in NMDA-gated currents. Chemical agents are used for anticancer activity in the synthesis of thiadiazole derivatives. 3-indolecarboxylic acid is a specific and competitive NMDA-gated current glycine potentiator; A chemical reagent for the synthesis of thiadiazole derivatives with anticancer activity. pharmaceutical intermediates, used in the synthesis of tropisetron, antiviral drugs, etc. |
| Application | 3-indolecarboxylic acid is an intermediate in organic synthesis and a pharmaceutical intermediate, can be used in laboratory organic synthesis process and chemical medicine research and development process, can be used for the synthesis of raw material tropisetron, antiviral drugs. |
| preparation | indole -3-carboxylic acid can be prepared by oxidation of indole -3-formaldehyde: In the sodium carbonate solution with pH = 8~9, potassium permanganate was used to oxidize, and the by-products were less. |
Last Update：2024-04-09 21:21:28
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