4-Cyanobenzoyl chloride
4-Cyanobenzoyl chloride
CAS: 6068-72-0
Molecular Formula: C8H4ClNO
4-Cyanobenzoyl chloride - Names and Identifiers
| Name | 4-Cyanobenzoyl chloride |
| Synonyms | LABOTEST-BB LTBB000677 4-CYANOBENZOYL CHLORIDE P-CYANOBENZOYL CHLORIDE 4-Cyanobenzoyl chloride 4-cyanobenzoic chloride 4-Cyanocbenzoyl chloride 4-Cyan-benzoic acid chloride 4-(Chlorocarbonyl)benzonitrile 4-Cyanobenzenecarbonyl chloride |
| CAS | 6068-72-0 |
| EINECS | 228-005-5 |
| InChI | InChI=1/C8H4ClNO/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4H |
| InChIKey | USEDMAWWQDFMFY-UHFFFAOYSA-N |
4-Cyanobenzoyl chloride - Physico-chemical Properties
| Molecular Formula | C8H4ClNO |
| Molar Mass | 165.58 |
| Density | 1.2744 (rough estimate) |
| Melting Point | 68-70°C(lit.) |
| Boling Point | 110 °C / 2mmHg |
| Flash Point | 128.9°C |
| Water Solubility | Reacts with water. |
| Vapor Presure | 0.00219mmHg at 25°C |
| Appearance | Crystalline Powder |
| Color | Almost white to beige |
| BRN | 386729 |
| Storage Condition | Inert atmosphere,Room Temperature |
| Sensitive | Moisture Sensitive |
| Refractive Index | 1.5430 (estimate) |
| MDL | MFCD00001822 |
4-Cyanobenzoyl chloride - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | 34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 3261 8/PG 2 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10-21 |
| HS Code | 29269090 |
| Hazard Note | Irritant |
| Hazard Class | 8 |
| Packing Group | II |
4-Cyanobenzoyl chloride - Introduction
4-Cyanobenzoyl chloride is an organic compound with the chemical formula C8H4ClNO. The following is a description of its nature, use, preparation and safety information:
Nature:
-Appearance: 4-Cyanobenzoyl chloride is a colorless to light yellow liquid.
-Solubility: It dissolves in common organic solvents such as ether, chloroform and dimethylformamide (DMF).
-Melting point: 60-62°C
-Boiling point: 244-247°C
-Density: 1.29g/cm³
Use:
- 4-Cyanobenzoyl chloride is often used as an important reagent in organic synthesis. It acts as an acylating agent and can react with amines, alcohols, etc. to produce the corresponding acid chloride derivatives. These derivatives are useful in a variety of organic synthesis reactions and in the preparation of active molecules.
-It is also commonly used as an intermediate in the synthesis of drugs and pesticides.
Preparation Method:
- 4-Cyanobenzoyl chloride can be obtained by reacting an aromatic carboxylic acid (benzoic acid, etc.) with thionyl chloride. First, an aromatic carboxylic acid is reacted with thionyl chloride at room temperature to form an intermediate of transition acid chloride, and then the intermediate of transition acid chloride is reacted to give 4-Cyanobenzoyl chloride.
Safety Information:
- 4-Cyanobenzoyl chloride is irritating and corrosive, causing irritation to the skin, eyes and respiratory tract. Avoid direct contact with skin and eyes, and wear protective glasses and gloves if necessary.
-When in use, care should be taken to prevent inhalation of its vapor, need to operate in a well-ventilated place, or wear respiratory protection.
-If ingested or inhaled, seek medical attention immediately.
Nature:
-Appearance: 4-Cyanobenzoyl chloride is a colorless to light yellow liquid.
-Solubility: It dissolves in common organic solvents such as ether, chloroform and dimethylformamide (DMF).
-Melting point: 60-62°C
-Boiling point: 244-247°C
-Density: 1.29g/cm³
Use:
- 4-Cyanobenzoyl chloride is often used as an important reagent in organic synthesis. It acts as an acylating agent and can react with amines, alcohols, etc. to produce the corresponding acid chloride derivatives. These derivatives are useful in a variety of organic synthesis reactions and in the preparation of active molecules.
-It is also commonly used as an intermediate in the synthesis of drugs and pesticides.
Preparation Method:
- 4-Cyanobenzoyl chloride can be obtained by reacting an aromatic carboxylic acid (benzoic acid, etc.) with thionyl chloride. First, an aromatic carboxylic acid is reacted with thionyl chloride at room temperature to form an intermediate of transition acid chloride, and then the intermediate of transition acid chloride is reacted to give 4-Cyanobenzoyl chloride.
Safety Information:
- 4-Cyanobenzoyl chloride is irritating and corrosive, causing irritation to the skin, eyes and respiratory tract. Avoid direct contact with skin and eyes, and wear protective glasses and gloves if necessary.
-When in use, care should be taken to prevent inhalation of its vapor, need to operate in a well-ventilated place, or wear respiratory protection.
-If ingested or inhaled, seek medical attention immediately.
Last Update：2024-04-09 21:01:54
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