Introduction：Basic information about 2-Methyl-5-nitrobenzenesulfonyl chloride CAS 121-02-8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-Methyl-5-nitrobenzenesulfonyl chloride Basic information
| Product Name: | 2-Methyl-5-nitrobenzenesulfonyl chloride |
| Synonyms: | 4-nitrotoluen-2-sulfochlorid;4-nitrotoluen-2-sulfonylchlorid;5-nitro-o-toluenesulfonylchlorid;5-NITRO-O-TOLUENESULFONYL CHLORIDE;2-METHYL-5-NITROBENZENE-1-SULFONYL CHLORIDE;2-METHYL-5-NITROBENZENESULFONYL CHLORIDE;2-METHYL-5-NITROBENZENESULPHONYL CHLORIDE;2-METHYL-5-NITROPHENYLSULFONYL CHLORIDE |
| CAS: | 121-02-8 |
| MF: | C7H6ClNO4S |
| MW: | 235.64 |
| EINECS: | 204-444-8 |
| Product Categories: | Building Blocks;Chemical Synthesis;Aromatics;Organic Building Blocks;Sulfonyl Halides;Sulfur Compounds;Benzene derivates;Organic Building Blocks;Sulfonyl Halides;Sulfur Compounds;Intermediates;Sulfur & Selenium Compounds |
| Mol File: | 121-02-8.mol |
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2-Methyl-5-nitrobenzenesulfonyl chloride Chemical Properties
| Melting point | 41-45 °C |
| Boiling point | 135-137 °C/0.7 mmHg |
| density | 1.4103 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| Fp | 135-137°C/0.7mm |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | soluble in Toluene |
| form | powder to crystal |
| color | White to Light yellow |
| Sensitive | Moisture Sensitive |
| BRN | 2697079 |
| InChI | 1S/C7H6ClNO4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3 |
| InChIKey | WPGVQDHXOUAJBW-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1S(Cl)(=O)=O)[N+]([O-])=O |
| CAS DataBase Reference | 121-02-8(CAS DataBase Reference) |
Safety Information
| Hazard Codes | C |
| Risk Statements | 14-29-34 |
| Safety Statements | 22-26-30-45-8-36/37/39 |
| RIDADR | 3261 |
| WGK Germany | 3 |
| RTECS | XT8000000 |
| HazardClass | 8 |
| PackingGroup | II |
| HS Code | 29049090 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Skin Corr. 1B |
2-Methyl-5-nitrobenzenesulfonyl chloride Usage And Synthesis
| Uses | Intermediate in the preparation of PDE7 inhibitors and kinase inhibitors. |
| Synthesis | Add 6.90 g (0.05 mol) of p-nitrotoluene to a 100 mL three-necked flask, slowly add 17.5 g (0.15 mol) of chlorosulfonic acid dropwise with vigorous stirring, and after dropping, warm up the reaction to 65??C for 24 h. After the reaction, the reaction solution was slowly poured into 100 mL of iced water, and then extracted with dichloromethane (100 mL??2), and the organic layers were combined to obtain 2-methyl-5-nitrobenzenesulfonyl chloride. The organic layer was extracted with dichloromethane (100 mL??2). |
2-Methyl-5-nitrobenzenesulfonyl chloride Preparation Products And Raw materials
| Raw materials | Benzenesulfonyl fluoride, 2-methyl-5-nitro--->Carbon disulfide-->2-Methyl-5-nitroaniline-->Aluminum chloride-->4-Nitrotoluene |
| Preparation Products | 6-Nitro-1,2-benzisothiazolin-3-one 1,1-dioxide-->4-Nitrotoluene-2-sulfonic Acid |
