553-86-6
2-Coumaranone
CAS: 553-86-6
Molecular Formula: C8H6O2
553-86-6 - Names and Identifiers
| Name | 2-Coumaranone |
| Synonyms | 2-Coumaranone 2-COUMARANONE 2-Coumaronone Benzo-furanone 2H-BENZOFURANONE 2(3H)-BENZOFURANONE 2(3H)-Benzofuranone 3H-Benzofuran-2-one BENZOFURAN-2[3H]-ONE Benzofuran-2(3H)-one 1-benzofuran-2(3H)-one Coumarone-2(3H)-ketone 1-Benzofuran-2(3H)-one Benzo[b]furan-2(3H)-one 2,3-dihydrobenzofuran-2-one 2,3-Dihydrobenzofuran-2-one 2,3-Dihydrobenzo[b]furan-2-one |
| CAS | 553-86-6 |
| EINECS | 209-052-0 |
| InChI | InChI=1/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2 |
| InChIKey | ACZGCWSMSTYWDQ-UHFFFAOYSA-N |
553-86-6 - Physico-chemical Properties
| Molecular Formula | C8H6O2 |
| Molar Mass | 134.13 |
| Density | 1,22 g/cm3 |
| Melting Point | 49-51°C(lit.) |
| Boling Point | 248-250°C(lit.) |
| Flash Point | >230°F |
| Solubility | H2O: soluble3.8g/L at 30°C |
| Vapor Presure | 0.027-0.24Pa at 10-30℃ |
| Appearance | Crystalline powder |
| Color | White to yellow-orange |
| BRN | 114689 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.4800 (estimate) |
| MDL | MFCD00005856 |
| Use | 2(3H)-Benzofuranone |
553-86-6 - Risk and Safety
| 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. R43 - May cause sensitization by skin contact R36/38 - Irritating to eyes and skin. |
| Safety Description | S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. |
| WGK Germany | 3 |
| HS Code | 29322090 |
553-86-6 - Reference Information
| LogP | 1.347 |
| surface tension | 63.8mN/m at 1g/L and 20 ℃ |
| Overview | benzofuranones are important intermediates in organic synthesis, which can be used in the synthesis of pharmaceuticals, pesticides and new antioxidants. |
| preparation | with O-nitrotoluene as raw material, O-nitrophenylacetic acid was prepared first, and then reduced by diazotization reaction and hydrolysis to obtain benzofuranone, it is not necessary to separate the O-hydroxyphenylacetic acid in the middle. Although the raw materials of this method are cheap and easy to obtain, the operation is simple, but the route is longer. |
| Application | mainly used for the synthesis of pesticide azoxystrobin |
Last Update：2024-04-10 22:29:15
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