2,6-Dimethylcyclohexa-2,5-Diene-1,4-Dione 2,6-二甲基苯醌

CAS 527-61-7 MFCD00001605

化学结构图

527-61-7
SMILES: CC1=CC(=O)C=C(C)C1=O

化学属性

Mol. FormulaC8H8O2
Mol. Weight136.15
Melting Point71-73°C
TSCANo
Refractive index1.
Flash Point71 ºC
Boiling Point200.9 °C at 760 mmHg
Density1.115

别名和识别编码

Chemical Name2,6-Dimethylcyclohexa-2,5-Diene-1,4-Dione
Synonym 2,6-Dimethylbenzoquinone {LY} 2,6-Dimethylbenzoquinone {} {LY} 2,6-Dimethylbenzoquinone {} {} {LY} 2,6-Dimethylbenzoquinone {} {} {} {LY} 2,6-Dimethylbenzoquinone {} {} {} {} {LY} 2,6-Dimethylbenzoquinone {} {} {} {} {} {LY} 2,6-Dimethylbenzoquinone {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoquinone {} {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoquinone {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoquinone {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoquinone {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoquinone {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoquinone {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00001605
CAS Number527-61-7
PubChem Substance ID87568672
EC Number208-420-8
Beilstein Registry Number7(4)2094
Reaxys-RN2041345
Chemical Name Translation2,6-二甲基苯醌
LabNetwork Molecule IDLN01741753
InChIInChI=1S/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
Canonical SMILESO=C1C(C)=CC(C=C1C)=O
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Short: III/35E
  • Reacts preferentially with Grign
  • Short: EINECS
  • Beilstein:7(4)2094
  • Short: III/5a
  • Diels-Alder dienophile in synthesis of taxane AB ring system: Tetrahedron Lett., 33, 1443 (1992). The regioselectivity of Diels Alder reactions has been controlled by the use of ß-cyclodextrin: J. Chem. Soc., Chem. Commun., 971 (1995):
  • Reacts preferentially with Grignard reagents at the less hindered carbonyl group, but with alkyllithiums at the more hindered site: J. Org. Chem., 46, 3369 (1981).

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
RTECSDK4825000
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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/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
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
Hazard Codes Xi
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 40 nmol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 347,37,1995

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

其他信息

  • Sigma Aldrich:527-61-7(sigmaaldrich)
  • 图谱信息:2,6-二甲基-2,5-环己二烯-1,4-二酮 (527-61-7)质谱(MS) 2,6-二甲基-2,5-环己二烯-1,4-二酮 (527-61-7)红外图谱(IR2) 2,6-二甲基-2,5-环己二烯-1,4-二酮 (527-61-7)核磁图( 1 HNMR) 2,6-二甲基-2,5-环己二烯-1,4-二酮 (527-61-7)核磁图( 13 CNMR) 2,6-二甲基-2,5-环己二烯-1,4-二酮 (527-61-7)红外图谱(IR1)
  • Acros Organics:2,6-二甲基苯醌 2,6-Dimethylbenzoquinone, 97%(527-61-7)
  • TCI Shanghai:2,6-二甲基-1,4-苯醌 2,6-Dimethyl-1,4-benzoquinone,>;98.0%(GC)(527-61-7)
  • Alfa Aesar:2,6-二甲基-邻-苯醌,99% 2,6-Dimethyl-p-benzoquinone, 99%(527-61-7)
  • 溶于氯仿。
  • MOL 文件:527-61-7.mol

系列性分类


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