4-Methylsulfuryl Chlorobenzene 4-氯苯基甲砜

CAS 98-57-7 MFCD00025067

化学结构图

98-57-7
SMILES: CS(=O)(=O)c1ccc(Cl)cc1

化学属性

Mol. FormulaC7H7ClO2S
Mol. Weight190.65
Density1.422
Melting Point95-98 °C
TSCAYes
Boiling Point60 °C at 30 mmHg

别名和识别编码

Chemical Name4-Methylsulfuryl Chlorobenzene
CAS Number98-57-7
Alfabeta NameCHLOROPHENYLMETHYLSULFONE 4-
MDL NumberMFCD00025067
EC Number202-682-7
Beilstein Registry Number638281
Synonym 4-Chlorophenyl methyl sulfone {LY} 4-Chlorophenyl methyl sulfone {} {LY} 4-Chlorophenyl methyl sulfone {} {} {LY} 4-Chlorophenyl methyl sulfone {} {} {} {LY} 4-Chlorophenyl methyl sulfone {} {} {} {} {LY} 4-Chlorophenyl methyl sulfone {} {} {} {} {} {LY} 4-Chlorophenyl methyl sulfone {} {} {} {} {} {} {LY} 4-Chlorophenyl methyl sulfone {} {} {} {} {} {} {} {LY} 4-Chlorophenyl methyl sulfone {} {} {} {} {} {} {} {} {LY} 4-Chlorophenyl methyl sulfone {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenyl methyl sulfone {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenyl methyl sulfone {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenyl methyl sulfone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenyl methyl sulfone {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenyl methyl sulfone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenyl methyl sulfone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID7395
Reaxys-RN638281
Chemical Name Translation4-氯苯基甲砜
InChIKeyLMCOQDVJBWVNNI-UHFFFAOYSA-N
Wiswesser Line NotationWS1&R DG
LabNetwork Molecule IDLN00173982
InChIInChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
Canonical SMILESClC1=CC=C(S(C)(=O)=O)C=C1
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分类

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

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/31a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cu Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/31a Year: 1993 Keyword: NQR ISBN: 3-540-55146-8 ISBN: 978-3-540-55146-1 Internet Resource: DOI:10.1007/b43999 RefComment: VIII, 437 pages. Hardcover Abstract: Volume III/31 continues the compilation of nuclear quadrupole resonance spectroscopy data of solid substances which started in with volume III/20 in 1987 covering the literature from the

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • 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;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
Risk Statements
  • R38 Irritating to skin 刺激皮肤
  • R22 Harmful if swallowed 吞咽有害
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.....
  • 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
  • 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。
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
RTECSWR5730000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn Xn,Xi
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 606 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
   Behavioral - changes in motor activity (specific assay)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD-A082-824

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
   Behavioral - changes in motor activity (specific assay)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD-A082-824

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >5600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JACTDZ Journal of the American College of Toxicology.  (Mary Ann Liebert,
   Inc., 1651 Third Ave., New York, NY 10128)  V.1-12, 1982-1993. Discontinued.
    Volume(issue)/page/year: 12,369,1993

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MOL 文件:98-57-7.mol
  • 类别:农药
  • 检测方法:HPLC,NMR,MS
  • 可燃性危险特性:明火、高温可燃; 燃烧释放有毒硫氧化物和氯化物烟雾
  • Sigma Aldrich:98-57-7(sigmaaldrich)
  • 灭火剂:水、二氧化碳、砂土
  • 毒性分级:高毒
  • 4-氯苯基甲基砜价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1237 4-氯苯基甲砜 4-Chlorophenyl Methyl Sulfone 5G 417元 2014/06/02 C1237 4-氯苯基甲砜 4-Chlorophenyl Methyl Sulfone 25G 1230元 2010/06/21 352200250 4-氯苯基甲基砜 4-Chlorophenyl methyl sulfone 98% 25 GR 1919元
  • 图谱信息:4-氯苯基甲基砜(98-57-7)核磁图( 13 CNMR) 4-氯苯基甲基砜(98-57-7)红外图谱(IR1) 4-氯苯基甲基砜(98-57-7)核磁图( 1 HNMR) 4-氯苯基甲基砜(98-57-7)质谱(MS) 4-氯苯基甲基砜(98-57-7)红外图谱(IR2)
  • Acros Organics:4-氯苯基甲基砜 4-Chlorophenyl methyl sulfone, 98%(98-57-7)
  • TCI Shanghai:4-氯苯基甲砜 4-Chlorophenyl Methyl Sulfone,>;98.0%(GC)(98-57-7)
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类、碱类、食品添加剂分开存放
  • 刺激数据:皮肤-兔子 500 毫克/24小时 轻度
  • Hazard Note:Irritant
  • Alfa Aesar:4-氯苯基甲基砜,98+% 4-Chlorophenyl methyl sulfone, 98+%(98-57-7)
  • 急性毒性:口服-大鼠LD50: 400 毫克/公斤; 口服-小鼠 LD50: 606 毫克/公斤

系列性分类


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