4-Chlorophenyl Phenyl Sulfone 4-氯苯基苯砜

CAS 80-00-2 MFCD00007549

化学结构图

80-00-2
SMILES: O=S(=O)(C1C=CC=CC=1)C1C=CC(Cl)=CC=1

化学属性

Mol. FormulaC12H9ClO2S
Mol. Weight252.72
Melting Point90-94 °C
TSCAYes
Boiling Point389 °C at 719 mmHg
Solubility不溶于水,溶于多数有机溶剂。

别名和识别编码

Chemical Name4-Chlorophenyl Phenyl Sulfone
MDL NumberMFCD00007549
CAS Number80-00-2
Synonym Sulphenone {LY} Sulphenone {} {LY} Sulphenone {} {} {LY} Sulphenone {} {} {} {LY} Sulphenone {} {} {} {} {LY} Sulphenone {} {} {} {} {} {LY} Sulphenone {} {} {} {} {} {} {LY} Sulphenone {} {} {} {} {} {} {} {LY} Sulphenone {} {} {} {} {} {} {} {} {LY} Sulphenone {} {} {} {} {} {} {} {} {} {LY} Sulphenone {} {} {} {} {} {} {} {} {} {} {LY} Sulphenone {} {} {} {} {} {} {} {} {} {} {} {LY} Sulphenone {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sulphenone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sulphenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sulphenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sulphenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sulphenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sulphenone {} {} {} {} {} {} {} {} {}
EC Number201-242-1
Merck Number8988
PubChem Substance ID87566452
Reaxys-RN1819254
Beilstein Registry Number6(1)149
Chemical Name Translation4-氯苯基苯砜
Wiswesser Line NotationWSR&R DG
LabNetwork Molecule IDLN01110452
Canonical SMILESO=S(C1=CC=C(C=C1)Cl)(C2=CC=CC=C2)=O
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分类

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

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemist

安全信息

RTECSWR5775000
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
WGK Germany3
GHS Symbol
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312+P330
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
Signal word Warning
Hazard statements
  • H332 Harmful if inhaled 吸入有害
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H302+H312+H332
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAFCAU Journal of Agricultural and Food Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
   20037)  V.1-    1953-  Volume(issue)/page/year: 3,836,1955

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   WRPCA2 World Review of Pest Control.  (London, UK)  V.1-10, 1962-71.
   Discontinued.  Volume(issue)/page/year: 9,119,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2700 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAFCAU Journal of Agricultural and Food Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
   20037)  V.1-    1953-  Volume(issue)/page/year: 3,836,1955

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAFCAU Journal of Agricultural and Food Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
   20037)  V.1-    1953-  Volume(issue)/page/year: 3,836,1955

TYPE

Storage condition

其他信息

  • 用途一:用于特种工程材料
  • 上游原料:氯磺酸 --> 4-氯苯磺酰氯
  • 用途二:对成螨及螨卵有效,可防治棉花、果树、蔬菜等作物的各种螨类,对蜜蜂寄生螨也有良好的防治效果。使用浓度为0.09%。
  • MOL 文件:80-00-2.mol
  • TCI Shanghai:4-氯苯基苯砜 4-Chlorophenyl Phenyl Sulfone,>;96.0%(GC)(80-00-2)
  • 方法一:由对氯苯磺酸经氯磺化,缩合而得。1.将干燥的对氯苯磺酸与氯磺酸在55-60℃下搅拌反应1.5-2h。将反应物滴加到冷水中,在25-35℃进行水析。将析出的沉淀过滤得到对氯苯磺酰氯湿品,将湿品加热到55-60℃熔融,静置,即可分出含量96%以上的对氯苯磺酰氯。2.缩合将熔融的对氯苯磺酰氯加到缩合锅中,加入三氯化铝,在60-70℃滴加苯,加毕,于90-95℃反应1h。将缩合液加到3-4%稀盐酸中水析,过滤,用水洗至中性,干燥得含量为95%的产品。原料消耗定额:对氯苯磺酸(92%)1200kg/t、氯磺酸1250kg/t、苯355kg/t。
  • Sigma Aldrich:80-00-2(sigmaaldrich)
  • Alfa Aesar:对氯苯基苯基砜,97% 4-Chlorodiphenyl sulfone, 97%(80-00-2)
  • 杀螨砜价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1451 4-氯苯基苯砜 4-Chlorophenyl Phenyl Sulfone 25G 928元 2010/05/25 B25524 对氯苯基苯基砜, 97% 4-Chlorodiphenyl sulfone, 97% 25g 689元 2010/05/25 B25524 对氯苯基苯基砜, 97% 4-Chlorodiphenyl sulfone, 97% 100g 1834元
  • 图谱信息:杀螨砜(80-00-2)核磁图( 13 CNMR) 杀螨砜(80-00-2)核磁图( 1 HNMR) 杀螨砜(80-00-2)红外图谱(IR2) 杀螨砜(80-00-2)红外图谱(IR1) 杀螨砜(80-00-2)质谱(MS)
  • 外观性质:无色稍带芳香味的结晶。
  • MSDS 信息:一氯杀螨砜(80-00-2).msds

系列性分类


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