1,3-Phenylene Diacetate 1,3-二乙酰氧基苯

CAS 108-58-7 MFCD00008701

化学结构图

108-58-7
SMILES: CC(=O)OC1=CC(=CC=C1)OC(C)=O

化学属性

Mol. FormulaC10H10O4
Mol. Weight194.186
Density1.179
Refractive index1.5010 to 1.5040
Flash Point>110°(230°F)
TSCAYes
Boiling Point278.620±13.00 °C at 760mmHg
Solubility水解
Melting Point145-146 °C

别名和识别编码

Chemical Name1,3-Phenylene Diacetate
MDL NumberMFCD00008701
CAS Number108-58-7
Synonym 1,3-Phenylene diacetate {LY} 1,3-Phenylene diacetate {} {LY} 1,3-Phenylene diacetate {} {} {LY} 1,3-Phenylene diacetate {} {} {} {LY} 1,3-Phenylene diacetate {} {} {} {} {LY} 1,3-Phenylene diacetate {} {} {} {} {} {LY} 1,3-Phenylene diacetate {} {} {} {} {} {} {LY} 1,3-Phenylene diacetate {} {} {} {} {} {} {} {LY} 1,3-Phenylene diacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Phenylene diacetate {} {} {} {} {} {} {} {} {} {LY} 1,3-Phenylene diacetate {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Phenylene diacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Phenylene diacetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Phenylene diacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Phenylene diacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Phenylene diacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Phenylene diacetate
EC Number203-596-2
Beilstein Registry Number6(4)5673
Reaxys-RN1875007
PubChem Substance ID87575613
Chemical Name Translation1,3-二乙酰氧基苯
Wiswesser Line Notation1VOR COV1
LabNetwork Molecule IDLN01746328
Canonical SMILESCC(=O)OC1=CC(=CC=C1)OC(=O)C
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 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: 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.e

安全信息

RTECSVH0580000
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
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；
  • S37 Wear suitable gloves 戴适当手套；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
Hazard Codes Xi
WGK Germany3
GHS Symbol
Precautionary statements
  • P305+P351+P338
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P332+P313
  • P302+P350
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 660 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - tremor
   Behavioral - ataxia
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 46,185,1957

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

  • Acros Organics:1,3-二乙酰氧基苯 1,3-Diacetoxybenzene, 99%(108-58-7)
  • Sigma Aldrich:108-58-7(sigmaaldrich)
  • 图谱信息:1,3-二乙酰氧基苯(108-58-7)红外图谱(IR1) 1,3-二乙酰氧基苯(108-58-7)质谱(MS) 1,3-二乙酰氧基苯(108-58-7)核磁图( 1 HNMR) 1,3-二乙酰氧基苯(108-58-7)Raman光谱 1,3-二乙酰氧基苯(108-58-7)核磁图( 13 CNMR)
  • MOL 文件:108-58-7.mol
  • TCI Shanghai:间苯二酚二乙酸酯 1,3-Diacetoxybenzene,>;98.0%(GC)(108-58-7)
  • 1,3-二乙酰氧基苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 R0046 1,3-二乙酰氧基苯 1,3-Diacetoxybenzene 500G 1830元 2014/06/02 R0046 1,3-二乙酰氧基苯 1,3-Diacetoxybenzene 25G 235元 2010/06/21 249732500 1,3-二乙酰氧基苯 1,3-Diacetoxybenzene 99% 250 ML 1200元
  • MSDS 信息:1,3-Diacetoxybenzene(108-58-7).msds
  • Alfa Aesar:1，3-二乙酰氧基苯,98+% 1,3-Diacetoxybenzene, 98+%(108-58-7)

系列性分类

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