3-Chloro-β-oxobenzenepropanenitrile
3-Chlorobenzoylacetonitrile,
CAS: 21667-62-9
Molecular Formula: C9H6ClNO
3-Chloro-β-oxobenzenepropanenitrile - Names and Identifiers
| Name | 3-Chlorobenzoylacetonitrile, |
| Synonyms | BUTTPARK 94 4-22 3-CHLOROBENZOYLACETONITRILE 3-Chlorobenzoylacetonitrile 3-Chlorobenzoylacetonitrile, 2-(3-chlorobenzoyl)acetonitrile 3-Chloro-β-oxobenzenepropanenitrile 3-(3-Chlorophenyl)-3-oxopropanenitrile 3-(3-CHLOROPHENYL)-3-OXOPROPANENITRILE 3-Chloro-β-oxobenzenepropanenitrile, 3-Chlorophenacyl cyanide, 3-Oxo-3-(3-chlorophenyl)propionitrile |
| CAS | 21667-62-9 |
| EINECS | 626-892-7 |
| InChI | InChI=1/C9H6ClNO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6H,4H2 |
3-Chloro-β-oxobenzenepropanenitrile - Physico-chemical Properties
| Molecular Formula | C9H6ClNO |
| Molar Mass | 179.6 |
| Density | 1.257±0.06 g/cm3(Predicted) |
| Melting Point | 79-83 °C |
| Boling Point | 347.1±27.0 °C(Predicted) |
| Flash Point | 163.7°C |
| Vapor Presure | 5.49E-05mmHg at 25°C |
| BRN | 2414476 |
| pKa | 7.12±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.553 |
| MDL | MFCD00067891 |
3-Chloro-β-oxobenzenepropanenitrile - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R22 - Harmful if swallowed |
| 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. S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | 3276 |
| WGK Germany | 3 |
| HS Code | 29269090 |
| Hazard Note | Harmful/Irritant |
| Hazard Class | IRRITANT |
| Packing Group | III |
3-Chloro-β-oxobenzenepropanenitrile - Introduction
It is an organic compound with the chemical formula C9H6ClNO. The following is a description of its nature, use, preparation and safety information:
Nature:
-Appearance: Solid, colorless to light yellow crystalline.
-Solubility: It can be dissolved in most organic solvents, slightly soluble in water.
-Melting point: Its melting point is about 55-57 degrees Celsius.
-Density: Its density is about 1.27g/cm³.
Use:
-is often used as an intermediate in organic synthesis to prepare other compounds.
-It can be used as pesticide intermediates and pharmaceutical intermediates.
-must be used as an acylating agent in some chemical reactions.
Method:
A commonly used preparation method is to react acetophenone and chloroformic acid to form pyridine,. The specific steps are as follows:
1. Mix acetophenone and chloroformic acid.
2. Add an acid catalyst at an appropriate temperature.
3. The reaction lasts for a period of time, usually a few hours.
4. After the reaction, the target product is extracted by crystallization or extraction.
Safety Information:
-is a toxic substance and should be handled with care.
-Contact with skin, eyes or inhalation of gas may be a health hazard, so wear appropriate personal protective equipment during operation.
-Keep a well-ventilated working environment during use.
-This compound is irritating and should not be in direct contact with the skin or inhaled.
-Avoid reacting with strong oxidants and high temperatures.
Nature:
-Appearance: Solid, colorless to light yellow crystalline.
-Solubility: It can be dissolved in most organic solvents, slightly soluble in water.
-Melting point: Its melting point is about 55-57 degrees Celsius.
-Density: Its density is about 1.27g/cm³.
Use:
-is often used as an intermediate in organic synthesis to prepare other compounds.
-It can be used as pesticide intermediates and pharmaceutical intermediates.
-must be used as an acylating agent in some chemical reactions.
Method:
A commonly used preparation method is to react acetophenone and chloroformic acid to form pyridine,. The specific steps are as follows:
1. Mix acetophenone and chloroformic acid.
2. Add an acid catalyst at an appropriate temperature.
3. The reaction lasts for a period of time, usually a few hours.
4. After the reaction, the target product is extracted by crystallization or extraction.
Safety Information:
-is a toxic substance and should be handled with care.
-Contact with skin, eyes or inhalation of gas may be a health hazard, so wear appropriate personal protective equipment during operation.
-Keep a well-ventilated working environment during use.
-This compound is irritating and should not be in direct contact with the skin or inhaled.
-Avoid reacting with strong oxidants and high temperatures.
Last Update：2024-04-09 20:49:11
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Product Name: 3-Chlorobenzoylacetonitrile Visit Supplier Webpage Request for quotationCAS: 21667-62-9
Tel: 18301782025
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Mobile: 18021002903
QQ: 3008007409
Wechat: 18301782025
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