p-Benzoquinone 对苯醌

CAS 106-51-4 MFCD00001591

化学结构图

106-51-4
SMILES: O=C1C=CC(=O)C=C1

化学属性

Mol. FormulaC6H4O2
Mol. Weight108.09
Melting Point112-116
Density1.31
Flash Point77°(171°F)
TSCAYes
Boiling Pointca 180° subl.
Autoignition Point815 °F
Vapor Density3.73 (vs air)
Vapor Pressure0.1 mmHg ( 25 °C)
Refractive indexn20/D 1.453
Solubility溶于热水、乙醇、乙醚、碱液。
Stability对光敏感

别名和识别编码

Chemical Namep-Benzoquinone
Synonym p-Benzoquinone {LY} p-Benzoquinone {} {LY} p-Benzoquinone {} {} {LY} p-Benzoquinone {} {} {} {LY} p-Benzoquinone {} {} {} {} {LY} p-Benzoquinone {} {} {} {} {} {LY} p-Benzoquinone {} {} {} {} {} {} {LY} p-Benzoquinone {} {} {} {} {} {} {} {LY} p-Benzoquinone {} {} {} {} {} {} {} {} {LY} p-Benzoquinone {} {} {} {} {} {} {} {} {} {LY} p-Benzoquinone {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} p-Benzoquinone {} {} {} {} {} {} {} {} {} {} {} {LY} p-Benzoquinone {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Benzoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Benzoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Benzoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Benzoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Benzoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number106-51-4
PubChem Substance ID87563289
EC Number203-405-2
Beilstein Registry Number773967
MDL NumberMFCD00001591
Reaxys-RN773967
Merck Number8074
Chemical Name Translation对苯醌
Wiswesser Line NotationL6V DVJ
LabNetwork Molecule IDLN00194634
InChIInChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
Canonical SMILESO=C1C=CC(C=C1)=O
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分类

  • {SNA} Analytical Standards,
  • {SNA} Amines, Analytical Reagents, Analytical/Chromatography, B, Bioactive Small Molecules, Cell Biology, Derivatization Reagents, Derivatization Reagents TLC,
  • {SNA} Amines, Derivatization Reagents, Derivatization Reagents TLC, Spectroscopy, TLC Reagents, A-C, TLC Reagents, N-R, TLC Visualization (Staining) Reagents (alphabetic sort), TLC Visualization (Staining) Reagents (by application), UV/Vis Reagents, UV/Visible (UV/VIS) Spectroscopy, 分析/色谱,
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, Pharmaceutical Secondary Standards, Pharmaceutical Standards
  • {SNA} Enzyme Inhibitors,
  • {SNA} Enzyme I
  • {SNA} Amines,

产品应用

  • 用于胺的光度法测定。

相关文献及参考

  • Mild reoxidant in palladium-catalyzed reactions, to convert Pd(0) back to Pd(II); see e.g.: Org. Synth. Coll., 8, 137 (1993). For use in the Pd-catalyzed oxidative addition of amines to electron-deficient alkenes, to give enamines, see Palladium(II)­ chloride, 11034. For the cis-1,4-stereo- and regioselective chloroacetoxylation of 1,3-dienes by Pd(OAc)2 and LiCl, in the presence of benzoquinone, see Palladium(II)­ acetate, 10516.
  • Short: II/25D
  • Reacts with allyl or isoprenyl tin derivatives in the presence of BF3 etherate to give ortho allyl-substituted quinones: Org. Synth. Coll., 9, 741 (1998). For a reaction scheme, see 2,3-Dimethoxy-5-methyl-1,4-benzoquinone, B24777.
  • Merck:14,8074

安全信息

GHS Symbol
WGK Germany3
Hazard Codes 6.1 T,N T,N,Xn,F
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H301+H331
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • 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
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H331 Toxic if inhaled 吸入中毒
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
RTECSDK2625000
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • 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。
  • 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。
  • P301+P310
  • P301+P310+P330
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P304+P340+P311
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P308+P311
  • P332+P313
  • P337+P313
  • 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
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
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；
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
  • 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；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Risk Statements
  • R11 Highly flammable 非常易燃
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R23/25 Toxic by inhalation and if swallowed 吸入及吞食都有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R50 Very toxic to aquatic organisms 对水生生物极毒
UN Number 2587
Packing GroupII
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 a
Hazard Class6.1
Warnings 危化品目录(2015) 
TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6326 mg/kg/43W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Skin and Appendages - tumors
REFERENCE :
   GANNA2 Gann.  Japanese Journal of Cancer Research.  (Tokyo, Japan)  V.1-75,
   1907-84.  For publisher information, see JJCREP.  Volume(issue)/page/year:
   39,56,1948

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 800 mg/kg/29W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Skin and Appendages - tumors
REFERENCE :
   PIATA8 Proceedings of the Imperial Academy of Tokyo.  (Tokyo, Japan) V.1-21,
   1912-45.  For publisher information, see PJACAW. Volume(issue)/page/year:
   16,309,1940

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 30 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PHBUA9 Pharmaceutical Bulletin.  (Tokyo, Japan)  V.1-5, 1953-57.  For
   publisher information, see CPBTAL.  Volume(issue)/page/year: 3,337,1955

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 8500 ug/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - muscle contraction or spasticity
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   12,885,1963

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 25 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FEPRA7 Federation Proceedings, Federation of American Societies for
   Experimental Biology. (Bethesda, MD)  V.1-46, 1942-87.
   Volume(issue)/page/year: 8,348,1949

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5600 ug/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   RPTOAN Russian Pharmacology and Toxicology (English Translation).
   Translation of FATOAO.  (

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 2100 nmol/L
REFERENCE :
   MUTAEX Mutagenesis. (Oxford Univ. Press, Pinkhill House, Southfield Road,
   Eynsham, Oxford OX8 1JJ, UK) V.1- 1986-  Volume(issue)/page/year: 3,193,1988

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 10 umol/L
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1977-  Volume(issue)/page/year: 29,161,1985

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - mouse Embryo
DOSE/DURATION           : 400 ug/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)

{

TYPE OF TEST            : DNA adduct
TEST SYSTEM             : Human Bone marrow
DOSE/DURATION           : 100 umol/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 12,1

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Rodent - rabbit Bone marrow
DOSE/DURATION           : 2 umol/L
REFERENCE :
   AJIMD8 American Journal of Industrial Medicine.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.1-    1980-  Volume(issue)/page/year:
   7,485,1985

TYPE OF TEST            : Micronucleus test
TEST SYSTEM             : Rodent - mouse Embryo
DOSE/DURATION           : 50 umol/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   19(Suppl 20),21,1992

Restrict 危险品

其他信息

  • 灭火剂:二氧化碳、泡沫、砂土、雾状水。
  • 防护措施:具有高毒性。易挥发、升华。对眼睛、皮肤、粘膜，特别对眼角膜有强烈刺激性，长期接触会引起眼球晶状体混浊、溃疡等角膜障碍。生产车间应有良好的通风，设备应密闭。操作人员应穿戴防护用具。空气中最高容许浓度0.1ppm。
  • 用途四:106-51-4（苯醌）用于石油化工产品阻聚以及染料、医药中间体的制造等领域。
  • 苯醌价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80015625 对苯醌 50g 14元 2011/04/16 B0887 1,4-苯醌 1,4-Benzoquinone 25G 109元 2011/04/16 B0887 1,4-苯醌 1,4-Benzoquinone 500G 902元
  • 职业标准:TWA 0.4 毫克/立方米;STEL 1.5 毫克/立方米
  • 用途三:染料和医药的中间体
  • 类别:有毒物品
  • TCI Shanghai:对苯醌 1,4-Benzoquinone,>;98.0%(T)(106-51-4)
  • 蒸气密度:3.73 (vs air)
  • 可燃。有类似氯的刺激性气味。对光敏感。能随水蒸气挥发。加热升华。溶于乙醇、乙醚、热石油醚和碱，微溶于水。中等毒，半数致死量(大鼠，经口)130mg/kg。有刺激性。
  • 上游原料:硫酸 --> 氨基苯 --> 二氧化锰 --> 1,4-苯二酚 --> 稀硫酸 --> 锰
  • 常规方法:用聚乙烯塑料袋包装，盛放于塑料桶内。贮存时应避光、防晒、防热。按易燃有毒物品规定贮运。
  • 方法一:将苯胺溶于稀硫酸中，经二氧化锰氧化，用蒸汽蒸馏法分离提纯，结晶、脱水、干燥，得成品。在工业生产中，这一过程也是生产对苯二酚的中间步骤，在某些场合，例如试剂生产药物制造，也采用以对苯二酚为原料，氧化制备对苯醌。原料消耗定额：苯胺2000kg/t、硫酸（93%）8500kg/t、软锰矿粉（含锰60-65%）9500kg/t。
  • 用途二:用作氧化剂，也用于有机合成
  • MOL 文件:106-51-4.mol
  • Acros Organics:1,4-对苯醌 1,4-Ben
  • MSDS 信息:对苯醌(106-51-4).msds
  • Alfa Aesar:对苯醌,98+% p-Benzoquinone, 98+%(106-51-4)
  • 图谱信息:苯醌(106-51-4)红外图谱(IR1) 苯醌(106-51-4)质谱(MS) 苯醌(106-51-4)红外图谱(IR3) 苯醌(106-51-4)核磁图( 13 CNMR) 苯醌(106-51-4)红外图谱(IR2) 苯醌(106-51-4)核磁图( 1 HNMR)
  • 下游产品:1,4-苯二酚 --> 颜料红 122 --> 4-甲氧基苯酚 --> 恩丹西酮 --> 阿氯米松双丙酸酯 --> 1,2,4-苯三酚醋酸酯 --> 3-硝基苯并呋喃-5-醇 --> 酚磺乙胺 --> 1,2,4-苯三酚 --> 2,4,5-三甲氧基苯甲醛 --> 1,4-苯醌二肟 -
  • 储运特性:库房通风低温干燥; 与氧化剂、食品添加剂分开存放
  • 用途五:用作毒芹碱、吡啶、氮杂茂、酪氨酸和对苯二酚的定性检定。分析中用于氨基酸的测定。染料和医药的中间体。制造对苯二酚和橡胶防老剂，丙烯腈和醋酸乙烯聚合引发剂以及氧化剂等。
  • 蒸气压:0.1 mm Hg ( 25 °C)
  • 用途一:用于制对苯二酚，用作染料和医药中间体、橡胶防老剂、阻聚剂、抗氧化剂、显影剂等
  • Sigma Aldrich:106-51-4(sigmaaldrich)
  • 急性毒性:口服-大鼠 LD50: 130 毫克/公斤; 口服-小鼠 LDL0: 100 毫克/公斤
  • 毒性分级:高毒
  • 可燃性危险特性:明火可燃;受热分解; 燃烧释放刺激烟雾

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Spectroscopy - Analytical Reagents
  4. UV/Visible (UV/VIS) Spectroscopy - 紫外/可见吸收光谱
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Spectroscopy - Analytical Reagents
  4. UV/Visible (UV/VIS) Spectroscopy - 紫外/可见吸收光谱
  5. UV/Vis Reagents - UV/Visible (UV/VIS) Spectroscopy
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Derivatization Reagents 衍生分析试剂
  4. Derivatization Reagents TLC - Derivatization Reagents
  5. TLC Visualization Reagents (by application) - Derivatization Reagents TLC
  6. Amines - TLC Visualization Reagents (by application)
  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. C3 to C6 - Ketones
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Pharmaceutical Standards - Chromatography
  5. Pharmaceutical Secondary Standards - Pharmaceutical Standards
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Enzymes, Inhibitors, and Substrates - Biochemicals and Reagents
  4. Enzyme Inhibitors - Enzymes, Inhibitors, and Substrates
  5. Enzyme Inhibitors by Enzyme - Enzyme Inhibitors
  6. R to Z - Enzyme Inhibitors by Enzyme
  7. Tyramine oxidase - R to Z
  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. Aromatic 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
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Catalysts for Organic Synthesis 有机合成催化剂
  4. Iridium
  1. Analytical & Chromatography 分析化学与色谱
  2. Derivatization Reagents
  3. TLC Visualization Reagents (alphabetic sort)
  1. Analytical & Chromatography 分析化学与色谱
  2. Derivatization Reagents
  3. Derivatization Reagents TLC
  4. TLC Visualization Reagents (alphabetic sort)
  1. Analytical & Chromatography 分析化学与色谱
  2. Derivatization Reagents
  3. TLC Visualization Reagents (alphabetic sort)
  4. TLC Reagents, G-M
  1. Analytical & Chromatography 分析化学与色谱
  2. Derivatization Reagents
  3. TLC Visualization Reagents (by application)
  4. Alkaloids
  1. Analytical & Chromatography 分析化学与色谱
  2. Derivatization Reagents
  3. Derivatization Reagents TLC
  4. TLC Visualization Reagents (alphabetic sort)
  5. TLC Reagents, G-M
  1. Analytical & Chromatography 分析化学与色谱
  2. Derivatization Reagents
  3. Derivatization Reagents TLC
  4. TLC Visualization Reagents (by application)
  5. Alkaloids
  1. Materials Science 材料科学
  2. Charge Transfer Complexes for Organic Metals
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Enzyme Inhibitors by Enzyme
  6. Trypsin Inhibitors