Benzoicacid, 4-(methylsulfonyl)-2-nitro-
4-Methylsulfonyl-2-nitrobenzoic acid
CAS: 110964-79-9
Molecular Formula: C8H7NO6S
Benzoicacid, 4-(methylsulfonyl)-2-nitro- - Names and Identifiers
| Name | 4-Methylsulfonyl-2-nitrobenzoic acid |
| Synonyms | RARECHEM AL BE 1440 2-NITRO-4-METHYLSULFONYLBENZOIC ACID 4-Methylsulfonyl-2-nitrobenzoic acid 2-Nitro-4-methylsulfonylbenzoic acid 4-Methanesulfonyl-2-nitrobenzoic acid O-Nitro-P-Methylsulfonyl Benzoic Acid 4-METHYLSULPHONYL-2-NITROBENZOIC ACID 4-(METHYLSULFONYL)-2-NITROBENZOIC ACID Benzoicacid, 4-(methylsulfonyl)-2-nitro- 4-Carboxy-3-nitrophenyl methyl sulphone, 2-Carboxy-5-(methylsulphonyl)nitrobenzene |
| CAS | 110964-79-9 |
| EINECS | 601-017-1 |
| InChI | InChI=1/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11) |
Benzoicacid, 4-(methylsulfonyl)-2-nitro- - Physico-chemical Properties
| Molecular Formula | C8H7NO6S |
| Molar Mass | 245.21 |
| Density | 1.576 |
| Melting Point | 211-212 |
| Boling Point | 497.8±45.0 °C(Predicted) |
| Flash Point | 254.9°C |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 0Pa at 25℃ |
| Appearance | Crystalline powder |
| Color | Pale Yellow |
| pKa | 1.51±0.25(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.59 |
| MDL | MFCD01941299 |
| Physical and Chemical Properties | Density 1.576 |
Benzoicacid, 4-(methylsulfonyl)-2-nitro- - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Hazard Note | Irritant |
Benzoicacid, 4-(methylsulfonyl)-2-nitro- - Reference Information
| LogP | -0.52 at 22℃ and pH2.4-2.8 |
| surface tension | 72.7mN/m at 1g/L and 20 ℃ |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| properties | 2-nitro-4-methylsulfone benzoic acid is white or light yellow crystalline powder at room temperature. |
| application | 2-nitro -4-methyl sulfone benzoic acid is an important intermediate for the synthesis of methyl sulforone. methyl sulforone is an excellent herbicide and has been widely used in the world. In addition, 2-nitro-4-methylsulfone benzoic acid is also widely used in dyes, medicine and other industries, and its synthesis has received extensive attention. |
| preparation method of | 2-nitro -4-methylsulfone benzoic acid: add 21.5 g2-nitro -4-methylsulfone toluene, add 200g glacial acetic acid, add 1.5gN-hydroxyphthalimide, 0.5g fuming nitric acid, pass air into the kettle with a pressure of 1.0MPa, start stirring and heating, the reaction temperature is controlled at 110 ℃, the reaction is 8h, the reaction is finished, the solution is filtered, and the filter cake is washed with 150mL of clear water. Then the filter cake is dissolved with 0.1M sodium hydroxide, the insoluble matter is filtered, the obtained filtrate is acidified with hydrochloric acid, and 11.9g of light yellow solid is obtained after drying. The melting point is 213.3~214.7 ℃. After high performance liquid phase analysis, the purity of 2-nitro-4-methylsulfone benzoic acid is 98.8% and the yield is 48%. |
Last Update：2024-04-09 20:49:11
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