17422-33-2
6-Chloroindole
CAS: 17422-33-2
Molecular Formula: C8H6ClN
17422-33-2 - Names and Identifiers
| Name | 6-Chloroindole |
| Synonyms | NSC 58083 6-Chloroindole 6-Chloro-1H-indole TIMTEC-BB SBB004059 1H-Indole, 6-chloro- 1H-Indole,6-chloro-(9CI) 6-chloroindole 17422-32-2 6-Chloroindole in stock Factory |
| CAS | 17422-33-2 |
| EINECS | 241-449-4 |
| InChI | InChI=1/C8H6ClN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H |
17422-33-2 - Physico-chemical Properties
| Molecular Formula | C8H6ClN |
| Molar Mass | 151.59 |
| Density | 1.1976 (rough estimate) |
| Melting Point | 87-90 °C (lit.) |
| Boling Point | 248.91°C (rough estimate) |
| Flash Point | 158.9°C |
| Water Solubility | slightly soluble |
| Solubility | Solubility in water: slightly soluble |
| Vapor Presure | 0.00309mmHg at 25°C |
| Appearance | White crystal |
| Color | Beige |
| BRN | 112345 |
| pKa | 16.10±0.30(Predicted) |
| Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
| Stability | Store in Refrigerator |
| Refractive Index | 1.5437 (estimate) |
| MDL | MFCD00005681 |
| Physical and Chemical Properties | Off-white powder. Melting point 89-91 °c. |
17422-33-2 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| TSCA | A |
| HS Code | 29339990 |
| Hazard Note | Irritant |
17422-33-2 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| Use | 6-chloroindole is an indole compound. Indole compounds widely exist in nature. Many indole containing substituents on benzene ring have biological activity. Indole and its derivatives are also important chemical raw materials and are widely used in many fields such as medicine, pesticides, dyes, food and spices. |
| preparation | 6.6 grams of 4-chloro-2-nitrotoluene (compound 1c,0.039mol) and 23.0 grams of DMFDMA(0.193mol,5eq) were added to acetonitrile (80ml), the reaction temperature was raised to 85 ℃ ~ 95 ℃, and the reaction temperature was refluxed for 5 hours. The reaction was cooled, the solvent was spin-dried, and 8.4 grams of crude product 2c(0.0369mol, yield 94.6%) was obtained by washing with water and trace ethanol. the obtained intermediate 2c was added to 118ml of methanol containing 10wt% hydrazine (hydrazine content 0.36mol,10eq), heated to 50 ℃, reacted for 8 hours, and cooled to room temperature. The solvent was spin-dried to obtain 5.4g of product 3c, 6-chloroindole (0.0355mol, yield 96.3%). |
Last Update：2024-04-10 22:29:15
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