3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione, o-Chloranil
Tetrachloro-o-benzoquinone
CAS: 2435-53-2
Molecular Formula: C6Cl4O2
3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione, o-Chloranil - Names and Identifiers
| Name | Tetrachloro-o-benzoquinone |
| Synonyms | o-Chloranil Tetrachloro-o-benzoquinone Tetrachloro-3,5-cyclohexadiene-1,2-dione 3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione 3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione 3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione, o-Chloranil |
| CAS | 2435-53-2 |
| EINECS | 219-424-4 |
| InChI | InChI=1/C6Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9 |
3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione, o-Chloranil - Physico-chemical Properties
| Molecular Formula | C6Cl4O2 |
| Molar Mass | 245.88 |
| Density | 1.7462 (estimate) |
| Melting Point | 126-129°C(lit.) |
| Boling Point | 164.7±40.0 °C(Predicted) |
| Flash Point | 60.3°C |
| Water Solubility | insoluble |
| Solubility | almost transparency in Methanol |
| Vapor Presure | 1.94mmHg at 25°C |
| Appearance | Fine Crystalline Powder |
| Color | Bordeaux |
| BRN | 1309782 |
| Storage Condition | 2-8°C |
| Refractive Index | 1.595 |
| Physical and Chemical Properties | Deep red crystals. Melting point 131-132 °c. |
3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione, o-Chloranil - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R36/38 - Irritating to eyes and skin. R20 - Harmful by inhalation |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S60 - This material and its container must be disposed of as hazardous waste. S37 - Wear suitable gloves. S22 - Do not breathe dust. |
| UN IDs | 2811 |
| WGK Germany | 3 |
| HS Code | 29147090 |
| Hazard Class | 8 |
| Packing Group | III |
3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione, o-Chloranil - 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 | raw material for the contraceptive chloroprogestone. |
| Production method | Pentachlorophenol is obtained by reacting with nitric acid in chloroform. Mixing the dried pentachlorophenol in chloroform, slowly adding nitric acid at 15-17 ℃, reacting at 20-25 ℃ for half an hour, adding water, cooling to below 10 ℃, filtering, standing the filtrate to remove the water layer, Wash the chloroform layer to the pH6-7, recover the chloroform to dryness under reduced pressure, add benzene 0.4 times, heat and dissolve, add gasoline 0.4 times, cool, filter, wash with cold benzene-gasoline, then recrystallize with benzene-gasoline to obtain tetrachloro-o-benzoquinone. |
Last Update：2024-04-10 22:29:15
