P-Toluenesulfonic Acid Butyl Ester 对甲苯磺酸正丁酯

CAS 778-28-9 MFCD00027203

化学结构图

778-28-9
SMILES: CCCCOS(=O)(=O)c1ccc(C)cc1

化学属性

Mol. FormulaC11H16O3S
Mol. Weight228.31
Boiling Point335.4°C at 760 mmHg
Refractive index1.5020 to 1.5050
Density1.12

别名和识别编码

Chemical NameP-Toluenesulfonic Acid Butyl Ester
Synonym Butyl 4-methylbenzenesulfonate {LY} Butyl 4-methylbenzenesulfonate {} {LY} Butyl 4-methylbenzenesulfonate {} {} {LY} Butyl 4-methylbenzenesulfonate {} {} {} {LY} Butyl 4-methylbenzenesulfonate {} {} {} {} {LY} Butyl 4-methylbenzenesulfonate {} {} {} {} {} {LY} Butyl 4-methylbenzenesulfonate {} {} {} {} {} {} {LY} Butyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {LY} Butyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {LY} Butyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {LY} Butyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00027203
CAS Number778-28-9
EC Number212-295-5
Chemical Name Translation对甲苯磺酸正丁酯
Reaxys-RN1428508
Beilstein Registry Number11(3)189
PubChem Substance ID13066
InChIKeyQYJXDIUNDMRLAO-UHFFFAOYSA-N
Wiswesser Line Notation4OSWR D1
LabNetwork Molecule IDLN01746473
InChIInChI=1S/C11H16O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
Canonical SMILESCCCCOS(=O)(=O)C1=CC=C(C)C=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment

相关文献及参考

  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • 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

Hazard Codes Xn
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
RTECSXT6400000
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
  • R22 Harmful if swallowed 吞咽有害
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#01764

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZEKBAI Zeitschrift fuer Krebsforschung.  (Berlin, Fed. Rep. Ger.)  V.1-75,
   1903-71.  For publisher information, see JCROD7.  Volume(issue)/page/year:
   74,241,1970

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

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

  • 对甲苯磺酸正丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0727 对甲苯磺酸丁酯 Butyl p-Toluenesulfonate 25ML 501元 2014/06/02 T0727 对甲苯磺酸丁酯 Butyl p-Toluenesulfonate 500ML 4360元 2010/06/21 380590250 对甲苯磺酸正丁酯 Butyl p-toluenesulfonate 99% 25 GR 421元
  • MOL 文件:778-28-9.mol
  • 类别:有毒物质
  • Sigma Aldrich:778-28-9(sigmaaldrich)
  • 可燃性危险特性:热分解排出有毒硫氧化物烟雾
  • 毒性分级:中毒
  • Acros Organics:对甲苯磺酸丁酯 Butyl p-toluenesulfonate, 99%(778-28-9)
  • TCI Shanghai:对甲苯磺酸正丁酯 Butyl p-Toluenesulfonate,>;97.0%(GC)(778-28-9)
  • 灭火剂:水, 干粉, 二氧化碳, 泡沫
  • 急性毒性:皮下-大鼠 LD50: 5000 毫克/公斤; 静脉-小鼠 LD50: 320 毫克/公斤
  • 储运特性:库房通风低温干燥
  • 图谱信息:对甲苯磺酸正丁酯(778-28-9)核磁图( 13 CNMR) 对甲苯磺酸正丁酯(778-28-9)核磁图( 1 HNMR) 对甲苯磺酸正丁酯(778-28-9)质谱(MS) 对甲苯磺酸正丁酯(778-28-9)红外图谱(IR1)

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. Functional Group 官能团索引
  2. sulfonic acid ester

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