4,4’-Dichlordiphenylsulfoxid 4,4’-二氯二苯基亚砜

CAS 3085-42-5 MFCD00000618

化学结构图

3085-42-5
SMILES: O=S(c1ccc(Cl)cc1)c1ccc(Cl)cc1

化学属性

Mol. FormulaC12H8Cl2OS
Mol. Weight271.16
Density1.422
Melting Point141-144 °C
TSCANo
Boiling Point406.2°C at 760 mmHg

别名和识别编码

Chemical Name4,4’-Dichlordiphenylsulfoxid
Synonym 4,4'-Dichlordiphenylsulfoxid {LY} 4,4'-Dichlordiphenylsulfoxid {} {LY} 4,4'-Dichlordiphenylsulfoxid {} {} {LY} 4,4'-Dichlordiphenylsulfoxid {} {} {} {LY} 4,4'-Dichlordiphenylsulfoxid {} {} {} {} {LY} 4,4'-Dichlordiphenylsulfoxid {} {} {} {} {} {LY} 4,4'-Dichlordiphenylsulfoxid {} {} {} {} {} {} {LY} 4,4'-Dichlordiphenylsulfoxid {} {} {} {} {} {} {} {LY} 4,4'-Dichlordiphenylsulfoxid {} {} {} {} {} {} {} {} {LY} 4,4'-Dichlordiphenylsulfoxid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4'-Dichlordiphenylsulfoxid {} {} {} {} {} {} {} {} {} {} {LY} 4,4'-Dichlordiphenylsulfoxid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4'-Dichlordiphenylsulfoxid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4'-Dichlordiphenylsulfoxid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4'-Dichlordiphenylsulfoxid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4'-Dichlordiphenylsulfoxid {} {} {} {} {} {} {}
CAS Number3085-42-5
EC Number221-397-9
Beilstein Registry Number2051256
MDL NumberMFCD00000618
PubChem Substance ID87566169
Reaxys-RN2051256
Chemical Name Translation4,4’-二氯二苯基亚砜
InChIKeyKJGYFISADIZFEL-UHFFFAOYSA-N
Wiswesser Line NotationGR DSO&R DG
LabNetwork Molecule IDLN01741087
InChIInChI=1S/C12H8Cl2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H
Canonical SMILESC1=C(C=CC(=C1)S(=O)C2=CC=C(C=C2)Cl)Cl
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfoxides, Sulfur Compounds
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; sulfoxide; 1fragment

相关文献及参考

  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances
  • 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: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
RTECSWS2275000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter 
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 2,303,1950

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 320 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#01241

Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • TCI Shanghai:4,4'-二氯二苯基亚砜 4-Chlorophenyl Sulfoxide,>;98.0%(GC)(3085-42-5)
  • MOL 文件:3085-42-5.mol
  • 储运特性:库房通风低温干燥
  • 4,4'-二氯二苯基亚砜价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 C1140 4-氯苯基亚砜 4-Chlorophenyl Sulfoxide 25G 734元 2010/06/21 153150250 4,4'-二氯二苯基亚砜 4-Chlorophenyl sulfoxide 97% 25 GR 597元 2010/06/21 153151000 4,4'-二氯二苯基亚砜 4-Chlorophenyl sulfoxide 97% 100 GR 1666元
  • 毒性分级:中毒
  • 4,4'-二氯二苯基亚砜价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1140 4-氯苯基亚砜 4-Chlorophenyl Sulfoxide 25G 675元 2010/06/21 153150250 4,4'-二氯二苯基亚砜 4-Chlorophenyl sulfoxide 97% 25 GR 597元 2010/06/21 153151000 4,4'-二氯二苯基亚砜 4-Chlorophenyl sulfoxide 97% 100 GR 1666元
  • 可燃性危险特性:可燃; 燃烧产生有毒硫氧化物,氯化物烟雾
  • Sigma Aldrich:3085-42-5(sigmaaldrich)
  • 图谱信息:4,4'-二氯二苯基亚砜(3085-42-5)质谱(MS) 4,4'-二氯二苯基亚砜(3085-42-5)核磁图( 1 HNMR) 4,4'-二氯二苯基亚砜(3085-42-5)红外图谱(IR1) 4,4'-二氯二苯基亚砜(3085-42-5)红外图谱(IR2) 4,4'-二氯二苯基亚砜(3085-42-5)核磁图( 13 CNMR)
  • Acros Organics:对氯苯基亚砜 4-Chlorophenyl sulfoxide, 97%(3085-42-5)
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 急性毒性:腹腔-小鼠 LD: >;500 毫克/公斤; 静脉-小鼠 LD50: 320 毫克/公斤
  • Alfa Aesar:双(4-氯苯基)亚砜,98% Bis(4-chlorophenyl) sulfoxide, 98%(3085-42-5)
  • 类别:有毒物品

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. 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. Sulfoxides - Sulfur Compounds
  1. Functional Group 官能团索引
  2. sulfoxide

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