931-59-9 (苯硫氯,Phenylsulfenyl Chloride)

结构式:
CAS号:
931-59-9
中文名称:
苯硫氯
英文名称:
Phenylsulfenyl Chloride
分子式:
C6H5ClS
分子量:
144.621899366379

苯硫氯(931-59-9)名称与标识符

名称

中文别名:
Benzenesulfenylchloride、苯次磺酰氯;苯次磺酰氯;苯硫基氯;苯硫氯;
英文别名:
Benzenesulfenylchloride;phenyl thiohypochlorite;Phenylchloro sulfide;Phenylsulfenylchloride;Phenyl-sulfoniumylidene Chloride;thiohypochlorous acid phenyl ester;Phenylsulphenyl chloride;Benzenesulfenyl chloride;Phenyl chloro sulfide;Phenylsulfenyl chloride;(Chlorosulfanyl)benzene;(Chlorothio)benzene;Benzene, (chlorothio)-;J-523958;DB-321394;SCHEMBL397524;(PHENYLSULFANYL)CHLORANE;931-59-9;benzene sulfenyl chloride;phenyl sulfenyl chloride;DTXSID60451599;DTXCID90402418;

标识符

MDL:
MFCD11850482
InChIKey:
JWUKZUIGOJBEPC-UHFFFAOYSA-N
Inchi:
1S/C6H5ClS/c7-8-6-4-2-1-3-5-6/h1-5H
SMILES:
ClSC1C=CC=CC=1

苯硫氯(931-59-9)物化性质

实验特性

  • LogP : 2.93250
  • PSA : 25.30000
  • 沸点 : 262 ºC
  • 熔点 : 44 °C
  • 闪点 : 110 ºC
  • 颜色与性状 : 暗红色吸湿性油状液体
  • 密度 : 1.25

计算特性

  • 精确分子量 : 143.98000
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 1
  • 同位素质量 : 143.9800490g/mol
  • 重原子数量 : 8
  • 复杂度 : 59.5
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.8
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 25.3Ų

苯硫氯(931-59-9)海关数据

海关编码:
2930909090
海关数据:

中国海关编码:

2930909090

概述:

2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

苯硫氯(931-59-9)推荐厂家 更多厂家(41)

苯硫氯(931-59-9)合成路线

合成路线:1 步
反应条件:
参考文献:
Safe and practical ex-situ chlorination of electronically diverse π-systems
Aguilar, Glen C.; Lis, Patrycja A. ; Wise, Dan E. ; Martinez, Jenny S.; Parasram, Marvin, Tetrahedron Letters, 2023, 124,
合成路线:1 步
反应条件:
参考文献:
Bifunctional Polyene Cyclizations: Synthetic Studies on Pimarane Natural Products
Feilner, Julian M. ; Plangger, Immanuel ; Wurst, Klaus; Magauer, Thomas, Chemistry - A European Journal, 2021, 27(48), 12410-12421
合成路线:1 步
反应条件:
参考文献:
Benzenesulfenyl chloride
Zelcans, Gunars; Hutton, Thomas K.; Rios, Ramon; Shibata, Norio, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2013, 1, 1-14
合成路线:1 步
反应条件:
参考文献:
The Endocyclic Restriction Test: The Geometries of Nucleophilic Substitutions at Sulfur(VI) and Sulfur(II)
Jarboe, Stephen G.; Terrazas, Michael S.; Beak, Peter, Journal of Organic Chemistry, 2008, 73(24), 9627-9632
合成路线:1 步
反应条件:
参考文献:
Synthesis of [1c-13C]-Labelled Gangliosides GM3 and NMR-Spectroscopic Investigations in Cell Cultures
Gretzke, Dirk, 1998, , ,
合成路线:1 步
参考文献:
Concerning the mechanism of the formation of phosphoranes from the reaction of tricoordinated phosphorus compounds and alkyl benzenesulfenates
Denney, Donald B.; Denney, Dorothy Z.; Gavrilovic, Dragan M., Phosphorus and Sulfur and the Related Elements, 1981, 11(1), 1-9
合成路线:1 步
反应条件:
参考文献:
Electrophilic additions to strained alkenes. II. The reaction of benzeneselenenyl chloride with tricyclo[4.2.2.02,5]deca-3,7-diene derivatives
Garratt, Dennis G.; Ryan, M. Dominic; Kabo, Ann, Canadian Journal of Chemistry, 1980, 58(22), 2329-39
合成路线:1 步
反应条件:
参考文献:
Method for synthesizing aryl sulfenyl/selenenyl chloride
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Palladium-Catalyzed Regio- and Stereoselective Chlorothiolation of Terminal Alkynes with Sulfenyl Chlorides
Iwasaki, Masayuki; Fujii, Tomoya; Yamamoto, Arisa; Nakajima, Kiyohiko; Nishihara, Yasushi, Chemistry - An Asian Journal, 2014, 9(1), 58-62
合成路线:1 步
反应条件:
参考文献:
Synthesis and biological evaluation of nonsymmetrical aromatic disulfides as novel inhibitors of acetohydroxyacid synthase
Li, Zai-Shun; Wang, Wei-Min; Lu, Wei; Niu, Cong-Wei; Li, Yong-Hong; et al, Bioorganic & Medicinal Chemistry Letters, 2013, 23(13), 3723-3727
合成路线:1 步
反应条件:
参考文献:
Triazole-asymmetric disulfide compounds as herbicides and their preparation, agrochemical compositions and use in the control of weeds
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Preparation of heterocyclic ring-containing asymmetric aromatic sulfide compound as AHAS inhibitors useful as herbicides
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Synthesis, Crystal Structure, in Vitro Acetohydroxyacid Synthase Inhibition, in Vivo Herbicidal Activity, and 3D-QSAR of New Asymmetric Aryl Disulfides
Shang, Jun; Wang, Wei-Min; Li, Yong-Hong; Song, Hai-Bin; Li, Zheng-Ming; et al, Journal of Agricultural and Food Chemistry, 2012, 60(34), 8286-8293
合成路线:1 步
反应条件:
参考文献:
In Situ Activation of Disulfides for Multicomponent Reactions with Isocyanides and a Broad Range of Nucleophiles
Lei, Xiaofang; Wang, Yuanyuan; Fan, Erkang; Sun, Zhihua, Organic Letters, 2019, 21(5), 1484-1487
合成路线:1 步
反应条件:
参考文献:
Studies of aromatic disulfides. VII. Synthesis of asymmetric aromatic and aliphatic-aromatic disulfides
Stepanov, B. I.; Rodionov, V. Ya.; Chibisova, T. A.; Yagodina, L. A.; Stankevich, A. D., Zhurnal Organicheskoi Khimii, 1977, 13(2), 370-4
合成路线:1 步
反应条件:
参考文献:
Synthesis and deployment of an elusive fluorovinyl cation equivalent: Access to quaternary α-(1'-fluoro)vinyl amino acids as potential PLP enzyme inactivators
McCune, Christopher D.; Beio, Matthew L.; Sturdivant, Jill M.; de la Salud-Bea, Roberto; Darnell, Brendan M.; et al, Journal of the American Chemical Society, 2017, 139(40), 14077-14089
合成路线:1 步
反应条件:
参考文献:
Cyclofunctionalization of 2-allylphenols with sulfur chlorides. III. 2-(Arylthiomethyl)-2,3-dihydrofuro[3,2-h]quinolines from 7-allyl- and 7-methallyl-8-hydroxyquinoline, respectively, and arylsulfenyl chlorides
Meinhold, H.; Muehlstaedt, M.; Muslih, R. M., Journal fuer Praktische Chemie (Leipzig), 1989, 331(1), 136-40
合成路线:1 步
反应条件:
参考文献:
Catalytic Thia-Sommelet-Hauser Rearrangement: Application to the Synthesis of Oxindoles
Li, Yuye; Shi, Yi; Huang, Zhong-Xing; Wu, Xin-Hu; Xu, Peng-Fei; et al, Organic Letters, 2011, 13(5), 1210-1213
合成路线:1 步
反应条件:
参考文献:
Preparation and characterization of o- or p-phenylthio substituted phenol compounds
Feng, Baicheng; Yu, Fanuan; Li, Peipei, Qingdao Keji Daxue Xuebao, 2010, 31(3), 231-233
合成路线:1 步
反应条件:
参考文献:
Method for preparation of substituted diphenyl sulfide via Friedel-Crafts reaction
, China, , ,

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