· 4-Chloro-3-nitrobenzenesulfonyl chloride is used in the preparation of functionalized 1H-indenes via copper-catalyzed arylative cyclization. · It is a precursor in the synthesis of N-arylsulfonyl-3-acylindole arylcarbonyl hydrazone derivatives that show potential nematicidal activity. · It is a key starting material in the synthesis of sulfonamide analogs of ferrostatin-1 (fer-1), which possess good ferroptosis inhibition property. · It can also be used in the synthesis of 4-chloro-3-nitrobenzene thiol.
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4-chloro-3-nitrobenzenesulfonyl chloride
Dangerous GoodsCAS number:97-08-5 molecular formula:C6H3Cl2NO4S
overview
compound introduction
Specs
| Chinese alias | 3-硝基-4-氯苯磺酰氯 | ||
| English alias | 4-chloro-3-nitro -benzenesulfonyl chloride | DTXSID2059148 | 3-Nitro-4-chlorobenzenesulfonyl chloride | C1887 | EINECS 202-558-2 | A24472 | InChI=1/C6H3Cl2NO4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H | 4-chloro-3-nitrobenzene sulphonyl chloride | 3-nitr | ||
| CAS number | 97-08-5 | molecular formula | C6H3Cl2NO4S |
| molecular weight | 256.06 | Exact mass | ≥96% |
| PSA | 88.3 | logp | 2.3 |
numbering system
| CAS | 97-08-5 |
| UNII | 9H74VBH6E8 |
| Wikidata | Q72455700 |
| PubChem CID | 7323 |
| Nikkaji Number | J28.768G |
| DSSTox Substance ID | DTXSID2059148 |
| 生态与环境部编号 | _25Q1B42CL |
| European Community (EC) Number | 202-558-2 |
| PubChem Reference Collection SID | 500761522 |
physicochemical properties
| XLogP3 | 2.3 |
| 复杂性 | 320 |
| Exact Mass | 254.9159841 |
| 形式电荷 | 0 |
| 重原子计数 | 14 |
| Molecular Weight | 256.06 |
| Monoisotopic Mass | 254.9159841 |
| 可旋转键计数 | 1 |
| 氢键供体计数 | 0 |
| 氢键受体计数 | 4 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 88.3 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 0 |
| 未定义原子手性中心计数 | 0 |
Safety information
法规信息:
REACH注册物质:状态:活跃 更新:2021-03-22 https://echa.europa.eu/registration-dossier/-/registered-dossier/32333
生态毒性值:
USDA APHIS化学效应:collection=usda_chemeffect&query_type=synonym&query='^97-08-5$'
危害类别和分类:
眼损伤 1 (86%)
Production methods and uses
purpose
工业应用参考:
工业分类参考:仪器仪表制造业。
应用场景参考:适合对材料精细度、设备条件和应用环境要求较高的场景,通常需要结合工艺目标做进一步筛选 。
作用参考:在科研材料体系中具备较强的组合应用潜力,价值往往取决于具体配方、纯度等级和工艺设计 。
选型提示:面向研发或检测用途时,建议同步评估品牌一致性、批次稳定性和后续技术支持能力 。
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MSDS
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