Pentachlorothiophenol 五氯苯硫酚

CAS 133-49-3 MFCD00059146

化学结构图

133-49-3
SMILES: Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

化学属性

Mol. FormulaC6HCl5S
Mol. Weight282.40
Melting Point223-227 °C
Appearance 有特殊气味的灰色或灰黄色粉末。熔点200-210℃，相对密度1.83。易氧化，应密封贮存于低温干燥场所。
Density1.745
Boiling Point351.3±37.0 °C at 760 mmHg

别名和识别编码

Chemical NamePentachlorothiophenol
Synonym Pentachlorothiophenol {LY} Pentachlorothiophenol {} {LY} Pentachlorothiophenol {} {} {LY} Pentachlorothiophenol {} {} {} {LY} Pentachlorothiophenol {} {} {} {} {LY} Pentachlorothiophenol {} {} {} {} {} {LY} Pentachlorothiophenol {} {} {} {} {} {} {LY} Pentachlorothiophenol {} {} {} {} {} {} {} {LY} Pentachlorothiophenol {} {} {} {} {} {} {} {} {LY} Pentachlorothiophenol {} {} {} {} {} {} {} {} {} {LY} Pentachlorothiophenol {} {} {} {} {} {} {} {} {} {} {LY} Pentachlorothiophenol {} {} {} {} {} {} {} {} {} {} {} {LY} Pentachlorothiophenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentachlorothiophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentachlorothiophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentachlorothiophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentachlorothiophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentachlorothiophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00059146
CAS Number133-49-3
EC Number24897398
PubChem Substance ID87574543
Reaxys-RN1108638
Beilstein Registry Number87574543
Chemical Name Translation五氯苯硫酚
Wiswesser Line NotationSHR BG CG DG EG FG
LabNetwork Molecule IDLN00480627
Canonical SMILESClC=1C(Cl)=C(Cl)C(S)=C(Cl)C1Cl
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; thiol; 1fragment
  • {SNA} All alphabetically sorted, Alphabetic, Analytical Standards, Analytical/Chromatography, Chromatography, Environmental Standards, Hexachlorobenzene metabolite, Metabolites, N-P, P, PA - PEN, Pesticides & Metabolites

相关文献及参考

  • Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

UN Number 3335
GHS Symbol
WGK Germany3
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P337+P313
Signal word
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H320 Causes eye irritation 刺激眼睛
RTECSDC1925000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Safety Statements 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

Storage condition

其他信息

  • 用途二:该品为天然胶、氯丁胶、丁腈胶、丁苯胶和丁基胶和塑炼促进剂，以及含合成胶成分较高的废橡胶的再生剂。适用于高温塑炼和低温塑炼，硫磺可终止其塑解作用。该品毒性小，不污染，硫化胶无臭味，对胶料的物性和老化性能无影响。该品同硫酸锌溶液反应，生成五氯硫酚锌，可用作天然橡胶的塑炼促进剂，高、低温使用均有显著的化促进作用，适用于开炼机和密炼机。五氯硫酚锌对硫化胶的物性，老化性能以及氯味等均无影响，可用于浅色制品。该品同矿物性真料以近平等重量复配，再加入少量有机活化物，即组成五氯硫酚复合物，也可用作天然胶、顺丁胶、异戊胶、丁苯胶、丁腈胶、氯丁胶、丁基胶等含不饱和键的橡胶的塑解剂，低温下也能有良好的塑解作用。少量硫黄对其塑解作用有终止效应。
  • TCI Shanghai:五氯苯硫酚 Pentachlorobenzenethiol,>;95.0%(T)(133-49-3)
  • 用途一:用作橡胶塑解剂
  • 图谱信息:五氯苯硫酚(133-49-3)质谱(MS) 五氯苯硫酚(133-49-3)红外图谱(IR1) 五氯苯硫酚(133-49-3)红外图谱(IR3) 五氯苯硫酚(133-49-3)红外图谱(IR2) 五氯苯硫酚(133-49-3)Raman光谱
  • 上游原料:硫氢化钠 --> 六氯苯
  • 方法一:由六氯苯与硫氢化钠反应得到，用二甲基甲酰胺等有机溶剂作溶剂。反应产生的五氯硫酚在反应体系中再与硫氢化钠作用，产生五氯硫酚钠和硫化氢。然后，用盐酸酸化五氯硫酚钠析出五氯硫酚，再过滤、洗涤、干燥，即得到成品五氯硫酚。
  • 五氯苯硫酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0312 五氯苯硫酚 Pentachlorobenzenethiol 25G 1710元
  • MOL 文件:133-49-3.mol
  • Sigma Aldrich:133-49-3(sigmaaldrich)
  • 敏感性:Stench
  • Hazard Note:Harmful/Stench

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Thiols/Mercaptans - Sulfur Compounds
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Environmental Standards - Chromatography
  5. Pesticides & Metabolites - Environmental Standards
  6. Metabolites - Pesticides & Metabolites
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. P - Alphabetic
  5. PA - PEN - P

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