4461-33-0
benzoyl isocyanate
CAS: 4461-33-0
Molecular Formula: C8H5NO2
4461-33-0 - Names and Identifiers
| Name | benzoyl isocyanate |
| Synonyms | benzoyl isocyanate BENZOYL ISOCYANATE Benzoyl isocyanate Benzoyl isocyanate (9CI) |
| CAS | 4461-33-0 |
| EINECS | 224-717-5 |
| InChI | InChI=1/C8H5NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5H |
4461-33-0 - Physico-chemical Properties
| Molecular Formula | C8H5NO2 |
| Molar Mass | 147.13 |
| Density | 1.171g/mLat 25°C(lit.) |
| Melting Point | 25.9°C |
| Boling Point | 94-96°C21mm Hg(lit.) |
| Flash Point | 162°F |
| Vapor Presure | 0.335mmHg at 25°C |
| Appearance | Solid |
| Color | Clear to hazy colorlessor white |
| BRN | 878595 |
| Storage Condition | -20°C |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.5514(lit.) |
| MDL | MFCD00002032 |
4461-33-0 - 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. S27 - Take off immediately all contaminated clothing. S28 - After contact with skin, wash immediately with plenty of soap-suds. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN 2206 6.1/PG 3 |
| WGK Germany | 3 |
| HS Code | 29291000 |
| Hazard Class | 6.1 |
| Packing Group | II |
4461-33-0 - Reference Information
| Uses | Benzoyl isocyanate is an organic intermediate that can be used to prepare urea compounds. |
| preparation | 2.97g di (trichloromethyl) carbonate and 20ml ethyl acetate were added to a four-neck bottle equipped with a mechanical stirrer, a thermometer, a constant pressure drop funnel and a reflux condenser tube, mixed and stirred at -5~5 ℃. 7.27g of benzamide was dissolved in 30ml of ethyl acetate solution by a constant pressure dropping funnel and slowly added to the above solution. The dropping process was in the low temperature stage of -5~5 ℃. After adding, stir for 30 minutes, slowly raise the temperature to the high temperature stage of 75~80 ℃, and drop 2.97g of di (trichloromethyl) carbonate dissolved in 20ml of ethyl acetate solution at the reaction temperature, add it for 3~3.5 hours, continue to react at this temperature for 2 hours after adding, recover ethyl acetate after the reaction, and then distill under reduced pressure to obtain 7.93g of benzoyl isocyanate with a 89.89% yield. |
Last Update：2024-04-09 20:52:54
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