2,6-Di-tert-butyl-P-benzoquinone 2,6-二叔丁基苯醌

CAS 719-22-2 MFCD00001601

化学结构图

719-22-2
SMILES: CC(C)(C)C1=CC(=O)C=C(C(C)(C)C)C1=O

化学属性

Mol. FormulaC14H20O2
Mol. Weight220.31
Melting Point65-67°C
Flash Point>110°(230°F)
TSCAYes
Appearance 黄色晶体。熔点68℃，沸点60℃（1.33×10-3kPa），升华。
Boiling Point75-80 °C at 0.7 mmHg

别名和识别编码

Chemical Name2,6-Di-tert-butyl-p-benzoquinone
MDL NumberMFCD00001601
PubChem Substance ID12867
CAS Number719-22-2
EC Number211-946-0
Synonym 2,6-Di-tert-butylcyclohexa-2,5-diene-1,4-dione {LY} 2,6-Di-tert-butylcyclohexa-2,5-diene-1,4-dione 2,6-di-tert-butyl-4-benzoquinone 2,6-di-tert-butyl-p-benzoquinone BHT-quinone {} {LY} 2,6-Di-tert-butylcyclohexa-2,5-diene-1,4-dione {} {} {} {LY} 2,6-Di-tert-butylcyclohexa-2,5-diene-1,4-dione {} {} {} {} {LY} 2,6-Di-tert-butylcyclohexa-2,5-diene-1,4-dione {} {} {} {} {} {LY} 2,6-Di-tert-butylcyclohexa-2,5-diene-1,4-dione {} {} {} {} {} {} {LY} 2,6-Di-tert-butylcyclohexa-2,5-diene-1,4-dione {} {} {} {} {} {} {} {LY} 2,6-Di-tert-butylcyclohexa-2,5-diene-1,4-dione {} {} {} {} {} {} {} {} {LY} 2,6-Di-tert-butylcyclohexa-2,5-diene-1,4-dione {} {} {} {} {} {} {} {} {} {LY} 2,6-Di-tert-butylcyclohexa-2,5-diene-1,4-dione {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Di-tert-butylcyclohexa-2,5-diene-1,4-dione {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Di-tert-butylcyclohexa-2,5-diene-1,4-dione {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Di-tert-butylc
Beilstein Registry Number7(4)2114
Reaxys-RN1911512
Chemical Name Translation2,6-二叔丁基苯醌
Wiswesser Line NotationL6V DVJ BX1&1&1 FX1&1&1
LabNetwork Molecule IDLN00237177
InChIInChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3
Canonical SMILESO=C1C(C(C)(C)C)=CC(C=C1C(C)(C)C)=O
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分类

  • Building Blocks, C13 to C14, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • {SNA} Building Blocks, C13 to C14, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Beil. 7 ,IV,2114
  • Fieser 9 ,139
  • Aldrich MSDS 1 , 593:C / Corp MSDS 1 (1), 1097:C / FT-IR 2 (1), 715:A / FT-IR 1 (1), 453:A / FT-NMR 1 (1), 714:B / IR-Spectra (2), 239:F / IR-Spectra (3), 268:D / NMR-Reference 2 (1), 415:C / RegBook 1 (1), 493:C / Structure Index 1 , 71:B:1
  • 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 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • 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 Resour
  • Benzylamines react at the 4-position with aromatization of the quinone ring. The resulting imines can be oxidized, in the presence of oxygen and base, to the corresponding benzamides, thus providing an amine to amide conversion, an otherwise difficult transformation: J. Chem. Soc., Chem. Commun., 970 (1979).

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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
RTECSDK3970000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
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            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2270 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - ulcerated nasal septum
   Sense Organs and Special Senses (Eye) - hemorrhage
   Blood - hemorrhage
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1977-  Volume(issue)/page/year: 6,173,1980

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

  • 用途二:有机合成中间体。
  • MSDS 信息:2,6-Di-tert-butyl-p-benzoquinone(719-22-2).msds
  • Acros Organics:2，6-二叔丁基对苯醌 2,6-Di-tert-butyl-p-benzoquinone, 98%(719-22-2)
  • 用途一:用作医药中间体
  • 上游原料:2,3-二氯-5,6-二氰基-1,4-苯醌 --> 2,6-二叔丁基-4-甲氧基苯酚
  • Alfa Aesar:2,6-二-叔-丁基-邻-苯醌,98+% 2,6-Di-tert-butyl-p-benzoquinone, 98+%(719-22-2)
  • TCI Shanghai:2,6-二叔丁基-1,4-苯醌 2,6-Di-tert-butyl-1,4-benzoquinone,>;98.0%(GC)(719-22-2)
  • MOL 文件:719-22-2.mol
  • 2,6-二叔丁基苯醌价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D2256 2,6-二叔丁基-1,4-苯醌 2,6-Di-tert-butyl-1,4-benzoquinone 25G 3210元 2014/06/02 D2256 2,6-二叔丁基-1,4-苯醌 2,6-Di-tert-butyl-1,4-benzoquinone 5G 1060元 2010/06/21 BTB09891EB 2,6-二叔丁基苯醌 2,6-di(tert-butyl)benzo-1,4-quinone 25 GR 2415元
  • 图谱信息:2,6-二叔丁基苯醌(719-22-2)红外图谱(IR2) 2,6-二叔丁基苯醌(719-22-2)质谱(MS) 2,6-二叔丁基苯醌(719-22-2)红外图谱(IR1) 2,6-二叔丁基苯醌(719-22-2)核磁图( 1 HNMR) 2,6-二叔丁基苯醌(719-22-2)核磁图( 13 CNMR)
  • 方法一:将2,3-二氯-5,6-二氰基-1,4-苯醌（DDQ）和2,6-二叔丁基-4-甲氧基苯酚溶解于甲醇。通氮，搅拌反应12h。减压浓缩，剩余物用沸腾苯处理，滤除DDQ转化的氢醌不溶物，滤液浓缩后得黄色固体物，用甲醇水溶液洗涤，过滤，得2,6-二叔丁基-1,4-苯醌，产率81%。
  • Sigma Aldrich:719-22-2(sigmaaldrich)

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. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  6. C13 to C14 - Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Benzoquinones

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