26947-41-1
3-isoquinolinecarbonitrile
CAS: 26947-41-1
Molecular Formula: C10H6N2
26947-41-1 - Names and Identifiers
| Name | 3-isoquinolinecarbonitrile |
| Synonyms | 3-Cyanoisoquinoline 3-Isoquinolinecarbonitrile 3-isoquinolinecarbonitrile 3-ISOQUINOLINECARBONITRILE ISOQUINOLINE-3-CARBONITRILE Isoquinoline-3-carbonitrile 3-Isoquinolinecarbonitrile (6CI,8CI,9CI) |
| CAS | 26947-41-1 |
| EINECS | 620-659-3 |
| InChI | InChI=1/C10H6N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H |
26947-41-1 - Physico-chemical Properties
| Molecular Formula | C10H6N2 |
| Molar Mass | 154.17 |
| Density | 1.21±0.1 g/cm3(Predicted) |
| Melting Point | 126-128 °C (lit.) |
| Boling Point | 348.9±15.0 °C(Predicted) |
| Flash Point | 121.6°C |
| Water Solubility | Insoluble in water. |
| Vapor Presure | 4.88E-05mmHg at 25°C |
| Appearance | Crystalline Powder |
| Color | White to yellow |
| BRN | 114887 |
| pKa | 0.57±0.30(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.654 |
| MDL | MFCD00075136 |
26947-41-1 - Risk and Safety
| 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 |
| UN IDs | 3439 |
| WGK Germany | 3 |
| HS Code | 29334900 |
| Hazard Class | 6.1 |
| Packing Group | III |
26947-41-1 - Introduction
3-isoquinolinecarbonitrile(3-isoquinolinecarbonitrile) is an organic compound with the chemical formula C11H7N, and the structure contains quinoline and nitrile groups.
3-isoquinolinecarbonitrile is a solid crystal, soluble in organic solvents such as alcohols and ketones, and has weak alkalinity. It is stable at room temperature and can be decomposed when heated.
3-isoquinolinecarbonitrile has many uses. It can be used as a pharmaceutical intermediate for the synthesis of various drugs, such as anticancer drugs and antiviral drugs. It can also be used in the synthesis of organic dyes and polymer materials.
There are many ways to prepare 3-isoquinolinecarbonitrile. One common method is by cyanation of quinolines. First, Quinoline is reacted with urea and sodium cyanide by heating together to form 3-isoquinolinecarbonitrile.
Regarding the safety information of 3-isoquinolinecarbonitrile, it should be noted that it is an organic compound that may irritate the skin and eyes. Wear protective gloves and eye protection during handling. Avoid prolonged exposure to and inhalation of 3-isoquinolinecarbonitrile dust or vapors. Follow safe operating procedures when storing and using, and make sure to operate in a well-ventilated place. If necessary, take personal protective measures to avoid eating, drinking and smoking. If inadvertently exposed, immediately flush the affected area with plenty of water and seek medical help.
3-isoquinolinecarbonitrile is a solid crystal, soluble in organic solvents such as alcohols and ketones, and has weak alkalinity. It is stable at room temperature and can be decomposed when heated.
3-isoquinolinecarbonitrile has many uses. It can be used as a pharmaceutical intermediate for the synthesis of various drugs, such as anticancer drugs and antiviral drugs. It can also be used in the synthesis of organic dyes and polymer materials.
There are many ways to prepare 3-isoquinolinecarbonitrile. One common method is by cyanation of quinolines. First, Quinoline is reacted with urea and sodium cyanide by heating together to form 3-isoquinolinecarbonitrile.
Regarding the safety information of 3-isoquinolinecarbonitrile, it should be noted that it is an organic compound that may irritate the skin and eyes. Wear protective gloves and eye protection during handling. Avoid prolonged exposure to and inhalation of 3-isoquinolinecarbonitrile dust or vapors. Follow safe operating procedures when storing and using, and make sure to operate in a well-ventilated place. If necessary, take personal protective measures to avoid eating, drinking and smoking. If inadvertently exposed, immediately flush the affected area with plenty of water and seek medical help.
Last Update：2024-04-09 21:01:54
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