3,4,5,6-Tetrachlorobenzene-1,2-Diol 3,4,5,6-四氯-1,2-邻苯二酚

CAS 1198-55-6 MFCD00002190

化学结构图

1198-55-6
SMILES: Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl

化学属性

Mol. FormulaC6H2Cl4O2
Mol. Weight247.89
Melting Point184-186°C
Boiling Point309.1°C at 760 mmHg

别名和识别编码

Chemical Name3,4,5,6-Tetrachlorobenzene-1,2-Diol
MDL NumberMFCD00002190
CAS Number1198-55-6
Synonym Tetrachlorocatechol {LY} Tetrachlorocatechol {} {LY} Tetrachlorocatechol {} {} {LY} Tetrachlorocatechol {} {} {} {LY} Tetrachlorocatechol {} {} {} {} {LY} Tetrachlorocatechol {} {} {} {} {} {LY} Tetrachlorocatechol {} {} {} {} {} {} {LY} Tetrachlorocatechol {} {} {} {} {} {} {} {LY} Tetrachlorocatechol {} {} {} {} {} {} {} {} {LY} Tetrachlorocatechol {} {} {} {} {} {} {} {} {} {LY} Tetrachlorocatechol {} {} {} {} {} {} {} {} {} {} {LY} Tetrachlorocatechol {} {} {} {} {} {} {} {} {} {} {} {LY} Tetrachlorocatechol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tetrachlorocatechol {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tetrachlorocatechol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tetrachlorocatechol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tetrachlorocatechol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {}
PubChem Substance ID14537
Chemical Name Translation3,4,5,6-四氯-1,2-邻苯二酚
Wiswesser Line NotationQR BQ CG DG EG FG
Beilstein Registry Number1876366
LabNetwork Molecule IDLN00202150
InChIInChI=1S/C6H2Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H
Canonical SMILESOC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1O
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分类

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

相关文献及参考

  • Beil. 6 ,784
  • Corp MSDS 1 (2), 3246:A / FT-IR 2 (2), 1886:D / FT-NMR 1 (2), 298:B / IR-Spectra (2), 592:C / IR-Spectra (3), 663:F / RegBook 1 (1), 1293:N / Structure Index 1 , 198:C:1
  • 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.

安全信息

GHS Symbol
WGK Germany3
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P305+P351+P338
Hazard statements
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H318 Causes serious eye damage 严重伤害眼睛
  • H302 Harmful if swallowed 吞食有害
Hazard Codes Xn
RTECSUX2449000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Signal word Danger
Safety Statements
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
  • 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；
Risk Statements
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
  • R22 Harmful if swallowed 吞咽有害
Packing GroupIII
Hazard Class6.1(b)
UN Number 2811 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 318 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - tremor
   Behavioral - muscle weakness
REFERENCE :
   TECSDY Toxicological and Environmental Chemistry.  (Gordon & Breach Science
   Pub. Inc., 1 Park Ave., New York, NY 10016)  V.3(3/4)-    1981-
   Volume(issue)/page/year: 11,37,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 136 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   40,63,1978

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • Sigma Aldrich:1198-55-6(sigmaaldrich)
  • MOL 文件:1198-55-6.mol

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. Oxygen Compounds 氧化合物
  5. Polyols - Oxygen Compounds
  1. Functional Group 官能团索引
  2. 1,2-diphenol

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