Benzoylcyanide
Benzoyl cyanide
CAS: 613-90-1
Molecular Formula: C8H5NO
Benzoylcyanide - Names and Identifiers
| Name | Benzoyl cyanide |
| Synonyms | Benzoylcyanide Benzoyl cyanide Benzoyl nitrile BENZOYL CYANIDE Phenylglyoxylonitrile PHENYLGLYOXYLONITRILE oxo(phenyl)acetonitrile Oxo(phenyl)acetonitrile Glyoxylonitrile, phenyl- Benzeneacetonitrile,a-oxo- alpha-Oxophenylacetonitrile alpha-oxophenylacetonitrile |
| CAS | 613-90-1 |
| EINECS | 210-359-7 |
| InChI | InChI=1/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H |
Benzoylcyanide - Physico-chemical Properties
| Molecular Formula | C8H5NO |
| Molar Mass | 131.13 |
| Density | 1.106g/mLat 25°C(lit.) |
| Melting Point | 28-31°C(lit.) |
| Boling Point | 206°C(lit.) |
| Flash Point | 184°F |
| Water Solubility | slihtly soluble, decomposes |
| Solubility | soluble in Methanol |
| Vapor Presure | 0.243mmHg at 25°C |
| Appearance | powder to lump to clear liquid |
| Color | White or Colorless to Light yellow |
| BRN | 1072101 |
| Refractive Index | 1.4700 (estimate) |
| Physical and Chemical Properties | colorless squamous Crystal, melting point 32 °c, boiling point 207 °c, flash point 84 °c. Soluble in ethanol and ether, insoluble in water. |
| Use | Used as a reagent for organic synthesis. |
Benzoylcyanide - Risk and Safety
| Risk Codes | R25 - Toxic if swallowed R50 - Very Toxic to aquatic organisms R34 - Causes burns R24/25 - R20 - Harmful by inhalation |
| Safety Description | 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.) S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S29 - Do not empty into drains. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN 3439 6.1/PG 2 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10 |
| HS Code | 29269095 |
| Hazard Class | 6.1(b) |
| Packing Group | III |
Benzoylcyanide - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Use | Benzoylnitrile is an intermediate of the herbicide bezrazinone. Organic synthesis intermediates. Used as an organic synthesis reagent. |
| Production method | It is obtained by the reaction of benzoyl chloride and cuprous cyanide. The copper cyanide is mixed into the purified benzoyl chloride and heated for reaction. The oil bath temperature is 220-230 ℃, kept for 1.5h, and then the reactants are fractionated at the oil bath temperature, and the finished product is obtained by collecting the fraction at 208-209 ℃. the preparation method is to add NaCN and solvent toluene into the reaction bottle, heat and stir, add benzoyl chloride dropwise at 95 ℃, reflux at this temperature for 5 h after dropwise addition, filter after cooling, distill the filter material to remove toluene, and obtain the finished product. |
Last Update：2024-04-10 22:29:15
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