Name | 3-Cyanoindole |
Synonyms | 3-Cyanoindole 3-CYANOINDOLE 3-Indonylnitrile RARECHEM AH BS 0093 3-INDOLECARBONITRILE 3-indolecarbonitrile INDOLE-3-CARBONITRILE Indole-3-carbonitrile indoline-3-carbonitrile 1h-indole-3-carbonitrile 1H-INDOLE-3-CARBONITRILE 1H-indol-3-ylacetonitrile |
CAS | 5457-28-3 |
EINECS | 212-232-1 |
InChI | InChI=1/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2 |
Molecular Formula | C9H6N2 |
Molar Mass | 142.16 |
Density | 1.1777 (rough estimate) |
Melting Point | 179-182 °C (lit.) |
Boling Point | 249.72°C (rough estimate) |
Flash Point | 127.6°C |
Water Solubility | Insoluble in water. |
Solubility | Chloroform (Slightly), Methanol (Slightly) |
Vapor Presure | 8.55E-06mmHg at 25°C |
Appearance | Grey brown crystal |
Color | Orange to Brown |
BRN | 120888 |
pKa | 14.61±0.30(Predicted) |
Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
Sensitive | Air & Light Sensitive |
Refractive Index | 1.6211 (estimate) |
MDL | MFCD00022717 |
Physical and Chemical Properties | Melting point 177-181°C |
Hazard Symbols | Xn - Harmful |
Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
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 S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
UN IDs | 3439 |
WGK Germany | 3 |
HS Code | 29339900 |
Hazard Class | 6.1 |
Packing Group | III |
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
use | for organic synthesis. |
production method | is prepared from indole -3-formaldehyde through the following process. Indole -3-formaldehyde, diammonium hydrogen phosphate, nitropropane and glacial acetic acid were mixed, refluxed for 12.5h, distilled at normal pressure, and solvent and low boiling matter were distilled. Add excess water to precipitate crude indole -3-nitrile, and the filtered crude product is recrystallized with acetone-hexane solvent and decolorized with activated carbon to obtain pure product. |