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4-chloro-3-nitrobenzenesulfonyl chloride

Dangerous Goods

CAS number:97-08-5    molecular formula:C6H3Cl2NO4S

overview

compound introduction

· 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.

Specs

Chinese alias3-硝基-4-氯苯磺酰氯
English alias4-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 number97-08-5molecular formulaC6H3Cl2NO4S
molecular weight256.06Exact mass≥96%
PSA88.3logp2.3

numbering system

CAS97-08-5
UNII9H74VBH6E8
WikidataQ72455700
PubChem CID7323
Nikkaji NumberJ28.768G
DSSTox Substance IDDTXSID2059148
生态与环境部编号_25Q1B42CL
European Community (EC) Number202-558-2
PubChem Reference Collection SID500761522

physicochemical properties

XLogP32.3
复杂性320
Exact Mass254.9159841
形式电荷0
重原子计数14
Molecular Weight256.06
Monoisotopic Mass254.9159841
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 。

Related

upstream information

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downstream information

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MSDS

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