S-Phenyl Thioacetate S-硫代乙酸苯酯

CAS 934-87-2 MFCD00008752

化学结构图

934-87-2
SMILES: CC(=O)Sc1ccccc1

化学属性

Mol. FormulaC8H8OS
Mol. Weight152.21
Density1.124 g/mL at 25 °C(lit.)
Boiling Point99-100 °C at 6 mmHg
Refractive index1.5700 to 1.5720
Flash Point79°C(lit.)
TSCANo
Melting Point18-19 °C

别名和识别编码

Chemical NameS-Phenyl Thioacetate
Synonym S-Phenyl ethanethioate {LY} S-Phenyl ethanethioate {} {LY} S-Phenyl ethanethioate {} {} {LY} S-Phenyl ethanethioate {} {} {} {LY} S-Phenyl ethanethioate {} {} {} {} {LY} S-Phenyl ethanethioate {} {} {} {} {} {LY} S-Phenyl ethanethioate {} {} {} {} {} {} {LY} S-Phenyl ethanethioate {} {} {} {} {} {} {} {LY} S-Phenyl ethanethioate {} {} {} {} {} {} {} {} {LY} S-Phenyl ethanethioate {} {} {} {} {} {} {} {} {} {LY} S-Phenyl ethanethioate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} S-Phenyl ethanethioate {} {} {} {} {} {} {} {} {} {} {} {LY} S-Phenyl ethanethioate {} {} {} {} {} {} {} {} {} {} {} {} {LY} S-Phenyl ethanethioate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} S-Phenyl ethanethioate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} S-Phenyl ethanethioate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} S-Phenyl ethanethioate {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00008752
CAS Number934-87-2
PubChem Substance ID87576682
EC Number213-294-2
Reaxys-RN1858641
Chemical Name TranslationS-硫代乙酸苯酯
InChIKeyWBISVCLTLBMTDS-UHFFFAOYSA-N
Wiswesser Line Notation1VSR
Beilstein Registry Number1858641
LabNetwork Molecule IDLN00220663
Canonical SMILESCC(SC1=CC=CC=C1)=O
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分类

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

相关文献及参考

  • 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 chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.
  • 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 Keywor

安全信息

WGK Germany2
RTECSAJ7559000
Signal word
Hazard statements
  • H227 Combustible liquid 可燃液体
Precautionary statements
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P403+P235
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YKKZAJ Yakugaku Zasshi.  Journal of Pharmacy.  (Nippon Yakugakkai, 2-12-15
   Shibuya, Shibuya-ku, Tokyo 150, Japan)  No.1-    1881-
   Volume(issue)/page/year: 89,1179,1969

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitro

其他信息

  • MOL 文件:934-87-2.mol
  • S-硫代乙酸苯酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0849 硫代乙酸S-苯酯 S-Phenyl Thioacetate 500ML 4890元 2014/06/02 T0849 硫代乙酸S-苯酯 S-Phenyl Thioacetate 25ML 610元
  • TCI Shanghai:硫代乙酸 S-苯酯 S-Phenyl Thioacetate,>;98.0%(GC)(934-87-2)
  • Sigma Aldrich:934-87-2(sigmaaldrich)
  • 图谱信息:S-硫代乙酸苯酯(934-87-2)核磁图( 1 HNMR) S-硫代乙酸苯酯(934-87-2)红外图谱(IR1) S-硫代乙酸苯酯(934-87-2)质谱(MS) S-硫代乙酸苯酯(934-87-2)核磁图( 13 CNMR)

系列性分类


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