Indole-3-carboxylic acid
- CAS No.
- 771-50-6
- Chemical Name:
- Indole-3-carboxylic acid
- Synonyms
- 1H-INDOLE-3-CARBOXYLIC ACID;ICO;3-Indoleformic acid;e-3-carboxyL;3-Indoleformic;3-CARBOXYINDOLE;3-indoleic acid;3-Indolecarboxylic;Indol-3-carbonsure;Indole-3-carboxylic
- CBNumber:
- CB4416867
- Molecular Formula:
- C9H7NO2
- Molecular Weight:
- 161.16
- MOL File:
- 771-50-6.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/12/19 15:05:22
| Melting point | 232-234 °C (dec.)(lit.) |
|---|---|
| Boiling point | 287.44°C (rough estimate) |
| Density | 1.2480 (rough estimate) |
| refractive index | 1.5050 (estimate) |
| storage temp. | 2-8°C |
| solubility | Soluble in 95% Ethanol: 50 mg/ml, also soluble in methanol. |
| form | Powder |
| pka | 3.90±0.10(Predicted) |
| color | Light beige |
| BRN | 129435 |
| InChI | InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12) |
| InChIKey | KMAKOBLIOCQGJP-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)C(C(O)=O)=C1 |
| CAS DataBase Reference | 771-50-6(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 36/37/38-21/22 | |||||||||
| Safety Statements | 22-24/25-36/37/39-26 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | NK7882892 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29339900 | |||||||||
| NFPA 704 |
|
Indole-3-carboxylic acid price More Price(8)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 284734 | Indole-3-carboxylic acid ReagentPlus?, 99% | 771-50-6 | 1G | ₹2413.98 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 284734 | Indole-3-carboxylic acid ReagentPlus?, 99% | 771-50-6 | 5G | ₹7003.78 | 2022-06-14 | Buy |
| TCI Chemicals (India) | I0028 | Indole-3-carboxylic Acid | 771-50-6 | 5G | ₹4000 | 2022-05-26 | Buy |
| TCI Chemicals (India) | I0028 | Indole-3-carboxylic Acid | 771-50-6 | 25G | ₹13800 | 2022-05-26 | Buy |
| ottokemi | I 1314 | Indole-3-carboxylic acid 99% | 771-50-6 | 1gm | ₹603 | 2022-05-26 | Buy |
Indole-3-carboxylic acid Chemical Properties,Uses,Production
Chemical Properties
light beige crystalline powder (recrystallized from acetate-petroleum ether). Soluble in ethanol, ether, acetate, insoluble in boiling water, benzene, insoluble in petroleum ether.
Application
Indole-3-carboxylic Acid is a specific and competitive inhibitor of the potentiation of glycine of NMDA-gated current. Chemical reagent in the synthesis of thiadiazole derivatives used for anticancer activity.
Definition
ChEBI: Indole-3-carboxylic acid is an indole-3-carboxylic acid carrying a carboxy group at position 3. It has a role as a human metabolite and a bacterial metabolite. It is a conjugate acid of an indole-3-carboxylate.
Preparation
indole-3-carboxylic acid can be synthesized by the hydrolysis reaction of 3-trichloroacetyl indole: add 235g 3-trichloroacetyl indole into 1000ml methanol, slowly drop an appropriate amount of 50% KOH solution, heat up and reflux for 18 hours, cool to room temperature, The methanol was recovered by concentration, and the residual liquid was left; 1500 ml of water was added to the residual liquid, hydrochloric acid was added dropwise to adjust pH=3～4, and then filtered, and the solid obtained by filtration was dried to obtain 144g of indole-3-carboxylic acid crude product; The crude product was slurried with 100g of ethyl acetate for 25 minutes,filtered and dried to obtain indole-3-carboxylic acid (137g, yield 91.8%).
General Description
The structures of the derivatives of indole-3-carboxylic acid were studied using gas chromatography with high resolution mass spectrometry (GC-HRMS), ultra-high performance liquid chromatography in combination with high resolution tandem mass spectrometry (UHPLC-HRMS), nuclear magnetic resonance spectroscopy (NMR) and Fourier transform infrared spectroscopy (FT-IR).
Indole-3-carboxylic acid Preparation Products And Raw materials
Raw materials
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| ANJI BIOSCIENCES | +91-9000100077 +91-9000100077 | Hyderabad, India | 429 | 58 | Inquiry |
| CiVentiChem Private Limited | +91-40-23197766 +91-8897000471 | Telangana, India | 126 | 58 | Inquiry |
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| Trignokem International | +91 (40) 2717-0709 | New Delhi, India | 380 | 50 | Inquiry |
| TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6768 | 58 | Inquiry |
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6100 | 58 | Inquiry |
| Otto Chemie Pvt. Ltd. | +91 9820041841 | Mumbai, India | 5870 | 58 | Inquiry |
| Alfa Aesar | 1 800 209 7001 | Maharashtra, India | 6905 | 58 | Inquiry |
| Supplier | Advantage |
|---|---|
| ANJI BIOSCIENCES | 58 |
| CiVentiChem Private Limited | 58 |
| anjali labs | 58 |
| DeFINE CHEMICALS | 58 |
| Montage Chemicals Pvt Ltd | 58 |
| Trignokem International | 50 |
| TCI Chemicals (India) Pvt. Ltd. | 58 |
| A.J Chemicals | 58 |
| Otto Chemie Pvt. Ltd. | 58 |
| Alfa Aesar | 58 |