2,3,5,6-Tetramethylcyclohexa-2,5-diene-1,4-dione 2,3,5,6-四甲基-1,4-苯醌

CAS 527-17-3 MFCD00001604

化学结构图

527-17-3
SMILES: CC1=C(C)C(=O)C(C)=C(C)C1=O

化学属性

Mol. FormulaC10H12O2
Mol. Weight164.20
Melting Point110-112 °C
Density1.422
Boiling Point230.1°C at 760 mmHg

别名和识别编码

Chemical Name2,3,5,6-Tetramethylcyclohexa-2,5-diene-1,4-dione
Synonym Duroquinone {LY} Duroquinone {} {LY} Duroquinone {} {} {LY} Duroquinone {} {} {} {LY} Duroquinone {} {} {} {} {LY} Duroquinone {} {} {} {} {} {LY} Duroquinone {} {} {} {} {} {} {LY} Duroquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Duroquinone {} {} {} {} {} {} {} {} {LY} Duroquinone {} {} {} {} {} {} {} {} {} {LY} Duroquinone {} {} {} {} {} {} {} {} {} {} {LY} Duroquinone {} {} {} {} {} {} {} {} {} {} {} {LY} Duroquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Duroquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Duroquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Duroquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Duroquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Duroquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Duroquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00001604
PubChem Substance ID68238
Beilstein Registry Number7,669
CAS Number527-17-3
EC Number208-409-8
Reaxys-RN1909128
Merck Number3470
Chemical Name Translation2,3,5,6-四甲基-1,4-苯醌
LabNetwork Molecule IDLN00195135
InChIInChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3
Canonical SMILESCC1=C(C)C(=O)C(=C(C)C1=O)C
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分类

  • Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} Analytical Standards, Certified Reference Materials (CRMs), Fluka CRM for Quantitative NMR (neats), Fluka CRMs for Chromatography (neats), Organic CRMs Alphabetical, Organic CRMs TraceCERT,
  • {SNA} Additional Standards, Analytical Standards, Certified Reference Materials (CRMs), D, Fluka CRM for Quantitative NMR (neats), Fluka CRMs for Chromatography (neats), Organic CRMs Alphabetical, Organic CRMs TraceCERT, Organic Pollutant Standards, Volatile & Semivolatile Standards, 分析/色谱
  • {SNA} qNMR Standard for organic solvents (2 ppm)

相关文献及参考

  • Merck 14 ,3470
  • Beil. 7 ,IV,2102
  • FT-IR 1 (1), 453:B / FT-IR 2 (1), 715:B / FT-NMR 1 (1), 714:C / IR-Spectra (3), 268:E / IR-Spectra (2), 239:G / NMR-Reference 2 (1), 415:D / RegBook 1 (1), 493:D / Sigma FT-IR 1 (2), 537:D / Structure Index 1 , 71:C:1
  • Short: II/25D Title: Structure Data of Free Polyatomic Molecules: Molecules Containing Five or More Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25D Year: 2003 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-42860-7 ISBN: 978-3-540-42860-2 Internet Resource: DOI:10.1007/b75952 RefComment: VIII, 569 pages. Hardcover RefComment: Written for scientists and researchers in the fields of chemistry and physics Abstract: This fourth subvolume presents data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc) of free polyatomic molecules including free radicals and molecular ions. The survey on structure data consists of four subvolumes, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been included as far as they are available. In this fourth subvolume, the structure of molecules containing five to sixty carbon atoms is listed.
  • 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-Börnste

安全信息

WGK Germany3
GHS Symbol
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。
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P302+P352+P332+P313+P362+P364
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
Hazard Codes Xi
RTECSGU5410000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning {} {} {} {} {TCI}
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;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 400 umol/L
REFERENCE :
   CALEDQ Cancer Letters (Shannon, Ireland).  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1975- Volume(issue)/page/year:
   63,47,1992

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

  • MOL 文件:527-17-3.mol
  • Sigma Aldrich:527-17-3(sigmaaldrich)
  • 杜醌价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0672 四甲基-1,4-苯醌 Tetramethyl-1,4-benzoquinone 1G 254元 2014/06/02 T0672 四甲基-1,4-苯醌 Tetramethyl-1,4-benzoquinone 25G 2830元 2014/06/02 T0672 四甲基-1,4-苯醌 Tetramethyl-1,4-benzoquinone 5G 735元
  • TCI Shanghai:四甲基-1,4-苯醌 Tetramethyl-1,4-benzoquinone,>;98.0%(GC)(527-17-3)
  • 图谱信息:杜醌(527-17-3)质谱(MS) 杜醌(527-17-3)红外图谱(IR2) 杜醌(527-17-3)红外图谱(IR1) 杜醌(527-17-3)核磁图( 13 CNMR) 杜醌(527-17-3)红外图谱(IR3) 杜醌(527-17-3)核磁图( 1 HNMR)
  • Acros Organics:杜醌 Duroquinone, 97%(527-17-3)

系列性分类


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