CAS: 82-05-3; 7H-Benzo[de]Anthracen-7-One

• 英文名称7H-Benzo[de]Anthracen-7-One
• 中文名称7H-苯并[de]蒽-7-酮
• IUPAC名称7H-benzo[de]anthracen-7-one
• 其它别名苯并蒽酮; Benzanthrone
• CAS编号82-05-3
• MFCD编号:MFCD00003585
• EINECS号:201-393-3
• FDA UNII编号:LP5P3RR8QN
• 分子式:C17H10O
• 分子量:230.26
• 产品CID: 2365374
• 产品分类有机原料→分子砌块→芳环类化合物→萘类化合物

• 相似结构搜索
• 产品信息参考;;
• InChIKey: HUKPVYBUJRAUAG-UHFFFAOYSA-N
• InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数0.0

相似化合物

物理性质

• 熔点168-170  °C(文献)
• 沸点436.2±12.0 °C at 760 mmHg
• 闪点196.1±14.5 °C
• 密度1.3±0.1 g/cm3
• PSA:17.07
• LogP:4.0512
• 折射率1.735
• 蒸汽压0.0±1.0 mmHg at 25°C
• 溶解性可溶于氯仿(轻微),甲醇(轻微,超声处理)
• 敏感性本品有毒。人体与之直接接触或在其粉尘中操作，会引起皮炎、湿疹及皮肤变棕黑色等现象，甚至对肝、胃引起不良影响。小鼠腹腔注射ＬＤ５０：６０３ｍｇ／ｋｇ。生产车间应有良好的通风，设备要求密闭，操作人员应穿戴防护用具。
• 外观形态二甲苯或乙醇中析出的淡黄色针状物
• 储存条件Store at room temperature
• 产品应用用于制还原染料,也用于有机合成.
• 性质描述淡黄色针状结晶.熔点170°C,不溶于水,溶于乙醇及其他有机溶剂.溶于硫酸中形成红光带绿色荧光的橙色液体.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P264-P280-P302+P352-P362+P364
• UN编号2811.0
• 危险品标志Xi: Irritant;
• 安全声明S26-S37/39
• 危险类别码R36/37/38
• WGK Germany3.0

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 Benzanthrone 主要起始原料 Anthraquinone And Glycerol
• 84-65-1 + 56-81-5 = 82-05-3
  反应条件:1.1 Reagents: Sulfuric Acid; 70 °C; 70 °C -> 120 °C1.2 Reagents: Sodium Hypophosphite; 120 °C; 1 H,120 °C; 120 °C -> Rt1.3 Reagents: Water; 0 °C
  标题:Synthesis Optimization Of The Intermediates Of Vat Dyes Benzanthrone
  作者:Tian,Hua
  参考文献:Jingxi Huagong Zhongjianti 日期:2012 卷标:42(1) 页码:51-53]
  
  84-65-1 + 56-81-5 = 82-05-3
  反应条件:1.1 Reagents: Zinc,Copper Sulfate; Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Rt1.3 Reagents: Sulfuric Acid Solvents: Water; Rt; Rt -> 35 °C; 1 H,35 °C; 35 °C -> 40 °C; 2 H,40 °C1.4 Solvents: Water; 45 Min,40 °C; 40 °C -> 80 °C; 2 H,80 °C -> 120 °C; 1 H,120 °C
  标题:The Linkage Between Reversible Friedel-Crafts Acyl Rearrangements And The Scholl Reaction
  作者:Agranat,Israel; Et Al
  参考文献:Structural Chemistry 日期:2019 卷标:30(5) 页码:1579-1610]
  
  591-50-4 + 86-55-5 = 82-05-3
  反应条件:1.1 Reagents: Trifluoromethanesulfonic Acid,Silver Oxide (Ag2O) Catalysts: Palladium Chloride Solvents: Tetrahydrofuran; 24 H,100 °C
  标题:Palladium-Catalyzed C8-H Arylation And Annulation Of 1-Naphthalene Carboxylic Acid Derivatives With Aryl Iodides
  作者:Zhang,Min; Et Al
  参考文献:Organic Chemistry Frontiers 日期:2021 卷标:8(13) 页码:3274-3279]
  
  199-94-0 = 82-05-3
  反应条件:1.1 Reagents: Sodium Dichromate Catalysts: Acetic Acid
  标题:Catalytic Method For The Synthesis Of Benzanthrene And Methyl-Substituted Benzanthrenes
  作者:Prostakov,N. S.; Et Al
  参考文献:Zhurnal Organicheskoi Khimii 日期:1981 卷标:17(11) 页码:2462-3]
  
  591-50-4 + 2459-24-7 = 82-05-3
  反应条件:1.1 Reagents: Trifluoromethanesulfonic Acid,Silver Oxide (Ag2O) Catalysts: Palladium Chloride Solvents: 1,1,1,3,3,3-Hexafluoro-2-Propanol; 24 H,100 °C
  标题:Palladium-Catalyzed C8-H Arylation And Annulation Of 1-Naphthalene Carboxylic Acid Derivatives With Aryl Iodides
  作者:Zhang,Min; Et Al
  参考文献:Organic Chemistry Frontiers 日期:2021 卷标:8(13) 页码:3274-3279]
  
  642-29-5 = 82-05-3
  反应条件:1.1 Reagents: Aluminum Chloride
  标题:Elimination Of Aromatically Combined Hydrogen And Condensation Of Aromatic Nuclei By Means Of Aluminium Chloride
  作者:Scholl,Roland; Et Al
  参考文献:Justus Liebigs Annalen Der Chemie 日期:1913 卷标:394 页码:111-77]
  
  = 82-05-3
  反应条件:1.1 Reagents: Boron Trifluoride Etherate,Iodobenzene Diacetate Solvents: 1,2-Dichloroethane; 5 Min,Rt; 32 H,80 °C; 80 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; 8 H,Rt
  标题:Phi(Oac)2-Bf3-Oet2 Mediated Domino Imine Activation,Intramolecular C-C Bond Formation And β-Elimination: New Approach For The Synthesis Of Fluorenones,Xanthones And Phenanthridines
  作者:Sarkar,Satinath; Et Al
  参考文献:Rsc Advances 日期:2014 卷标:4(77) 页码:40964-40968]
  
  86-55-5 + 10182-84-0 + 37181-39-8 = 82-05-3
  反应条件:1.1 Reagents: Trifluoromethanesulfonic Acid Catalysts: Acetylglycine,Palladium Diacetate Solvents: 1,2-Dichloroethane; 24 H,80 °C
  标题:Palladium-Catalyzed Site-Selective Benzocyclization Of Naphthoic Acids With Diaryliodonium Salts: Efficient Access To Benzanthrones
  作者:Xue,Chenwei; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2020 卷标:85(23) 页码:15406-15414]
  
  591-50-4 + 53463-11-9 = 82-05-3
  反应条件:1.1 Reagents: Trifluoromethanesulfonic Acid,Silver Oxide (Ag2O) Catalysts: Palladium Chloride Solvents: 1,1,1,3,3,3-Hexafluoro-2-Propanol; 24 H,100 °C
  标题:Palladium-Catalyzed C8-H Arylation And Annulation Of 1-Naphthalene Carboxylic Acid Derivatives With Aryl Iodides
  作者:Zhang,Min; Et Al
  参考文献:Organic Chemistry Frontiers 日期:2021 卷标:8(13) 页码:3274-3279]
  
  177972-84-8 = 82-05-3
  反应条件:1.1 Reagents: Trifluoroacetic Acid,Potassium Persulfate Catalysts: Palladium Diacetate Solvents: Benzene; 15 H,120 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 6 - 8 H,100 °C
  标题:Pd-Catalyzed Multiple C-H Functionalization To Construct Biologically Active Compounds From Aryl Aldoxime Ethers With Arenes
  作者:Thirunavukkarasu,Vedhagiri S.; Et Al
  参考文献:Chemistry - A European Journal 日期:2011 卷标:17(52) 页码:14723-14726]
  
  82998-38-7 = 82-05-3
  反应条件:1.1 Catalysts: Palladium,(2,2′-Bipyridine-Kn1,Kn1′)Bis(Nitrato-Ko)-,(Sp-4-2)- Solvents: Tetrahydrofuran,Water; 2 H,25 °C1.2 Reagents: Nitric Acid Solvents: Water; 25 °C; 30 Min,25 °C; 300 Min,25 °C
  标题:One-Pot Catalytic Cleavage Of C=s Double Bonds By Pd Catalysts At Room Temperature
  作者:Zhu,Ting; Et Al
  参考文献:Inorganic Chemistry 日期:2018 卷标:57(15) 页码:9266-9273]
  
  56-81-5 + 90-44-8 = 82-05-3
  反应条件:1.1 Reagents: Sulfuric Acid
  标题:New Anthracene-Series Synthesis And New Vat Dyes
  作者:Bally,Oscar
  参考文献:Berichte Der Deutschen Chemischen Gesellschaft 日期:1905 卷标:38 页码:194-196]
  
  199-94-0 = 82-05-3
  反应条件:1.1 Reagents: Potassium Hydroxide,Permanganic Acid (Hmno4),Potassium Salt (1:1) Catalysts: Tetrabutylammonium Hydrogen Sulfate Solvents: Dichloromethane,Water1.2 Reagents: Acetic Acid Solvents: Dichloromethane,Water
  标题:Phase-Transfer Permanganate Oxidation Of Unfunctionalized Benzylic Positions
  作者:Gannon,Sharon M.; Et Al
  参考文献:Synthesis 日期:1987 卷标:(10) 页码:915-17]
  
  642-29-5 = 82-05-3
  反应条件:1.1 Reagents: Silver Oxide (Ag2O) Catalysts: Palladium Diacetate Solvents: Trifluoroacetic Acid; 36 H,130 °C
  标题:Pd-Catalyzed Double C-H Bond Activation Of Diaryl Ketones For The Synthesis Of Fluorenones
  作者:Gandeepan,Parthasarathy; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2012 卷标:48(75) 页码:9379-9381]
  
  = 82-05-3
  反应条件:1.1 Reagents: Triethylamine,Water Catalysts: Triphenylphosphine,Palladium Diacetate Solvents: Dimethylformamide; 22 H,130 °C
  标题:Metal-Free Directed Ortho C-H Iodination: Synthesis Of 2'-Iodobiaryl-2-Carbonitriles
  作者:Sarkar,Satinath; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2013 卷标:2013(29) 页码:6491-6495]
  
  86-55-5 = 82-05-3
  反应条件:1.1 Reagents: Trifluoromethanesulfonic Acid,Sodium Persulfate,Oxygen Catalysts: N-Acetyl-L-Isoleucine,Palladium Diacetate Solvents: Dimethyl Sulfoxide; 5 Min,Rt; 24 H,80 °C
  标题:Chelation-Assisted Pd-Catalysed Ortho-Selective Oxidative C-H/c-H Cross-Coupling Of Aromatic Carboxylic Acids With Arenes And Intramolecular Friedel-Crafts Acylation: One-Pot Formation Of Fluorenones
  作者:Sun,Denan; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2016 卷标:52(18) 页码:3635-3638]
  
  142598-69-4 = 82-05-3
  反应条件:1.1 Reagents: Bis(Pyridine)Iodonium Tetrafluoroborate Solvents: Dichloromethane; 5 Min,Rt; Rt -> -80 °C1.2 Reagents: Tetrafluoroboric Acid Solvents: Diethyl Ether; 10 Min,-80 °C1.3 4 H,-60 °C
  标题:Direct Intramolecular Arylation Of Aldehydes Promoted By Reaction With Ipy2Bf4/hbf4: Synthesis Of Benzocyclic Ketones
  作者:Barluenga,Jose; Et Al
  参考文献:Angewandte Chemie 日期:2006 卷标:45(19) 页码:3140-3143]
  
  56-81-5 = 82-05-3
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Nitrobenzene
  标题:Unsymmetrically Extended Polyfused Aromatics Embedding Coronene And Perylene Frameworks: Syntheses And Properties
  作者:Kumar,Sushil; Et Al
  参考文献:Organic Letters 日期:2016 卷标:18(2) 页码:200-203]
  
  56-81-5 = 82-05-3
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Nitrobenzene
  标题:Synthesis And Characterization Of Polysubstituted Dibenzopyrenes As Charge-Transporting Materials
  作者:Kumar,Sushil; Et Al
  参考文献:Organic Letters 日期:2016 卷标:18(19) 页码:4876-4879]
  
  79440-81-6 + 549-99-5 = 82-05-3 [标题:Reaction Conditions
  标题:Formation Of 3-Guaiacylbenzanthrone By The Reaction Of Reduced Forms Of Anthraquinone With Quinone Methides
  作者:Fullerton,Terry J.; Et Al
  参考文献:Journal Of Wood Chemistry And Technology 日期:1982 卷标:2(1) 页码:97-113]
  
  79440-81-6 + 90-44-8 = 82-05-3 [标题:Reaction Conditions
  标题:Formation Of 3-Guaiacylbenzanthrone By The Reaction Of Reduced Forms Of Anthraquinone With Quinone Methides
  作者:Fullerton,Terry J.; Et Al
  参考文献:Journal Of Wood Chemistry And Technology 日期:1982 卷标:2(1) 页码:97-113]
  
  142598-69-4 = 82-05-3
  反应条件:1.1 Reagents: Sulfuric Acid Magnesium Salt (1:1) Solvents: Dichloromethane; 10 H,Rt2.1 Reagents: Boron Trifluoride Etherate,Iodobenzene Diacetate Solvents: 1,2-Dichloroethane; 5 Min,Rt; 32 H,80 °C; 80 °C -> Rt2.2 Reagents: Hydrochloric Acid Solvents: Water; 8 H,Rt
  标题:Phi(Oac)2-Bf3-Oet2 Mediated Domino Imine Activation,Intramolecular C-C Bond Formation And β-Elimination: New Approach For The Synthesis Of Fluorenones,Xanthones And Phenanthridines
  作者:Sarkar,Satinath; Et Al
  参考文献:Rsc Advances 日期:2014 卷标:4(77) 页码:40964-40968

海关参考信息

• 2902902000-精萘
  2912110000-甲醛
  2912210000-苯甲醛
  2914190090-其他无环酮
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

专利信息

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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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