2-Chloroethyl P-Toluenesulfonate 2-氯乙基对甲苯磺酸酯

CAS 80-41-1 MFCD00000970

化学结构图

80-41-1
SMILES: Cc1ccc(cc1)S(=O)(=O)OCCCl

化学属性

Mol. FormulaC9H11ClO3S
Mol. Weight234.70
Refractive index1.5250 to 1.5290
Boiling Point153 °C at 0.3 mmHg
Density1.294
Flash Point>110°(230°F)
TSCAYes
Appearance 无色液体。沸点210℃（2.8kPa），153℃（40Pa），相对密度1.294（20/4℃），折光率1.5290，不溶于水，溶于苯。
Melting Point157-161 °C

别名和识别编码

Chemical Name2-Chloroethyl P-Toluenesulfonate
Synonym 2-Chloroethyl 4-methylbenzenesulfonate {LY} 2-Chloroethyl 4-methylbenzenesulfonate {} {LY} 2-Chloroethyl 4-methylbenzenesulfonate {} {} {LY} 2-Chloroethyl 4-methylbenzenesulfonate {} {} {} {LY} 2-Chloroethyl 4-methylbenzenesulfonate {} {} {} {} {LY} 2-Chloroethyl 4-methylbenzenesulfonate {} {} {} {} {} {LY} 2-Chloroethyl 4-methylbenzenesulfonate {} {} {} {} {} {} {LY} 2-Chloroethyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {LY} 2-Chloroethyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {LY} 2-Chloroethyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {LY} 2-Chloroethyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloroethyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloroethyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloroethyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloroethyl 4-methylbenzenesulfonate {} {} {} {} {} {}
MDL NumberMFCD00000970
CAS Number80-41-1
PubChem Substance ID87561548
EC Number201-277-2
Reaxys-RN1968816
Beilstein Registry Number1968816
Chemical Name Translation2-氯乙基对甲苯磺酸酯
InChIKeyZXNMIUJDTOMBPV-UHFFFAOYSA-N
Wiswesser Line NotationG2OSWR D1
LabNetwork Molecule IDLN01313198
Canonical SMILESCC1=CC=C(S(=O)(OCCCl)=O)C=C1
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分类

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

相关文献及参考

  • Beil. 11 ,II,45
  • Corp MSDS 1 (1), 780:D / FT-IR 2 (2), 3259:D / FT-IR 1 (2), 512:C / FT-NMR 1 (2), 1608:A / IR-Spectra (3), 1166:D / IR-Spectra (2), 1015:E / NMR-Reference 2 (2), 832:A / RegBook 1 (2), 2219:J / Structure Index 1 , 348:B:7
  • Short: III/20b Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei Cl ... Rb Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20b Year: 1988 Keyword: NQR ISBN: 3-540-18483-X ISBN: 978-3-540-18483-6 Internet Resource: DOI:10.1007/b86664 RefComment: IX,717 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

GHS Symbol
WGK Germany3
Hazard Codes 6.1 Xn
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSXT6475000
Precautionary statements
  • 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。
  • P301+P312+P330
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Packing GroupIII
Hazard Class6.1
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
UN Number 2810 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 498 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,1068,1986

其他信息

  • Acros Organics:2-氯乙基对甲苯磺酸 2-Chloroethyl-p-toluenesulfonate, 97%(80-41-1)
  • 类别:有毒物质
  • 毒性分级:高毒
  • MOL 文件:80-41-1.mol
  • 可燃性危险特性:可燃; 火场分解有毒氯化物， 硫氧化物气体
  • 储运特性:库房低温, 通风, 干燥 ; 防火; 与氧化剂, 食品原料分开存放
  • Sigma Aldrich:80-41-1(sigmaaldrich)
  • 刺激数据:眼睛-兔 500 毫克/24小时 轻度
  • 上游原料:4-甲苯磺酰氯 --> 2-氯乙醇
  • Alfa Aesar:2-氯乙基对甲苯磺酸酯,97% 2-Chloroethyl p-toluenesulfonate, 97%(80-41-1)
  • 灭火剂:水, 二氧化碳, 干粉, 砂土
  • 急性毒性:口服- 大鼠 LD50: 498 毫克/ 公斤
  • 图谱信息:对甲苯磺酸-β-氯乙酯 (80-41-1)红外图谱(IR1) 对甲苯磺酸-β-氯乙酯 (80-41-1)核磁图( 13 CNMR)
  • 方法一:由对甲苯磺酰氯与氯乙醇反应而得。

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. Tosylates - 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. Tosylates - 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. Thioureas
  1. Functional Group 官能团索引
  2. sulfonic acid ester

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