CAS: 876-53-9; 1,3-Dibromoadamantane

• 英文名称1,3-Dibromoadamantane
• 中文名称1,3-二溴金刚烷
• IUPAC名称1,3-dibromoadamantane
• 其它别名Tricyclo[3.3.1.13, 1,3-Dibromo-; 1,3-Dibromotricyclo[3.3.1.1(3,7)]Decane; 1,3-Dibromoadamantane, ; Dtxsid9
• CAS编号876-53-9
• MFCD编号:MFCD00077218
• EINECS号:963-914-7
• FDA UNII编号:3KFH6285GK
• 分子式:C10H14Br2
• 分子量:294.03
• 产品CID: 1884734
• 产品分类有机原料 → 烃类化合物及其衍生物 → 烃类卤化物

• 相似结构搜索
• InChIKey: HLWZKLMEOVIWRK-UHFFFAOYSA-N
• InChI=1S/C10H14Br2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6H2…
• 计算化学: 氢键受体数0.0氢键供体数0.0可旋转键数0.0

物理性质

• 熔点108-110  °C(文献)
• 沸点287.6±13.0 °C at 760 mmHg
• 闪点145.4±19.1 °C
• 密度1.9±0.1 g/cm3
• PSA:0.0
• LogP:3.98
• 折射率1.651
• 蒸汽压0.0±0.6 mmHg at 25°C
• 溶解性Chloroform (Slightly), Ethyl Acetate (Slightly)
• 外观形态白色至浅灰色固体
• 储存条件密封, 常温干燥保存
• 产品应用1,3-二溴金刚烷(876-53-9)的用途:本品是一种感光材料中间体,在医药合成当中有作广泛的应用.
• 性质描述熔点108-110°C

MSDS等安全信息

• 危险类别急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  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2A
• 警示词Warning
• 危险描述H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  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P280-P305+P351+P338-
• 危险等级IRRITANT
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-36
• 危险类别码36/37/38
• WGK Germany3.0

欧盟法规

上下游产品

合成工艺路线路线简述

• 768-90-1 = 876-53-9
  反应条件:1.1 Reagents: Carbon Tetrabromide,Sodium Hydroxide Catalysts: Benzyltriethylammonium Chloride Solvents: Dichloromethane,Water
  标题:Selective C-H Activation Of Aliphatic Hydrocarbons Under Phase-Transfer Conditions
  作者:Schreiner,Peter R.; Et Al
  参考文献:Angewandte Chemie 日期:1998 卷标:37 页码:1895-1897]
  
  23174-58-5 = 876-53-9
  反应条件:1.1 Reagents: Iodine Bromide (Ibr) Solvents: Carbon Tetrachloride
  标题:On The Mechanism Of Liquid-Phase Halogenation Of Adamantane Derivatives
  作者:Yurchenko,A. G.; Et Al
  参考文献:Tetrahedron Letters 日期:1986 卷标:27(12) 页码:1399-402]
  
  109-69-3 + 768-90-1 = 876-53-9
  反应条件:1.1 Reagents: 1,2-Dibromoethane,Magnesium Solvents: Butyl Ether,Argon2.1 Reagents: Bromine Solvents: Argon
  标题:Alkylation And Polyalkylation Of Adamantane And Its Homologs
  作者:Molle,G.; Et Al
  参考文献:Canadian Journal Of Chemistry 日期:1987 卷标:65(10) 页码:2428-33]
  
  768-90-1 = 876-53-9
  反应条件:1.1 Reagents: 1,2-Dibromoethane,Magnesium Solvents: Butyl Ether,Argon2.1 Reagents: Bromine Solvents: Argon
  标题:Alkylation And Polyalkylation Of Adamantane And Its Homologs
  作者:Molle,G.; Et Al
  参考文献:Canadian Journal Of Chemistry 日期:1987 卷标:65(10) 页码:2428-33]
  
  542-18-7 + 768-90-1 = 876-53-9
  反应条件:1.1 Reagents: 1,2-Dibromoethane,Magnesium Solvents: Butyl Ether,Argon2.1 Reagents: Bromine Solvents: Argon
  标题:Alkylation And Polyalkylation Of Adamantane And Its Homologs
  作者:Molle,G.; Et Al
  参考文献:Canadian Journal Of Chemistry 日期:1987 卷标:65(10) 页码:2428-33]
  
  768-90-1 = 876-53-9
  反应条件:1.1 Reagents: 1,2-Dibromoethane,Magnesium Solvents: Butyl Ether,Argon2.1 Reagents: Bromine Solvents: Argon
  标题:Alkylation And Polyalkylation Of Adamantane And Its Homologs
  作者:Molle,G.; Et Al
  参考文献:Canadian Journal Of Chemistry 日期:1987 卷标:65(10) 页码:2428-33]
  
  753-89-9 + 768-90-1 = 876-53-9
  反应条件:1.1 Reagents: 1,2-Dibromoethane,Magnesium Solvents: Butyl Ether,Argon2.1 Reagents: Bromine Solvents: Argon
  标题:Alkylation And Polyalkylation Of Adamantane And Its Homologs
  作者:Molle,G.; Et Al
  参考文献:Canadian Journal Of Chemistry 日期:1987 卷标:65(10) 页码:2428-33]
  
  281-23-2 = 876-53-9 + 768-90-1
  反应条件:1.1 Reagents: Carbon Tetrabromide,Sodium Hydroxide Catalysts: Benzyltriethylammonium Chloride Solvents: Dichloromethane,Water
  标题:Selective C-H Activation Of Aliphatic Hydrocarbons Under Phase-Transfer Conditions
  作者:Schreiner,Peter R.; Et Al
  参考文献:Angewandte Chemie 日期:1998 卷标:37 页码:1895-1897]
  
  281-23-2 = 876-53-9 + 768-90-1
  反应条件:1.1 Reagents: Carbon Tetrabromide Catalysts: Iron(Iii) Acetylacetonate Solvents: Hexane; 2 H,80 °C
  标题:Bromination Of Adamantane And Its Derivatives With Tetrabromomethane Catalyzed By Iron Compounds
  作者:Khusnutdinov,R. I.; Et Al
  参考文献:Russian Journal Of Organic Chemistry 日期:2015 卷标:51(2) 页码:184-187]
  
  1488928-36-4 = 876-53-9 + 1488928-52-4
  反应条件:1.1 Reagents: Bromine Catalysts: Aluminum Chloride; 2 H,Reflux; 16 H,Rt
  标题:3-(1-Adamantyl)Furazans
  作者:Sheremetev,A. B.; Et Al
  参考文献:Chemistry Of Heterocyclic Compounds (New York 日期:2013 卷标:49(9) 页码:1358-1369]
  
  281-23-2 = 876-53-9
  反应条件:1.1 Reagents: Iron,Bromine; 2 H,Reflux
  标题:Preparation Of 1,3-Adamantanedicarboxylic Acid
  作者:Hu,Xiao-Chun; Et Al
  参考文献:Zhejiang Shifan Daxue Xuebao 日期:2004 卷标:27(2) 页码:152-154]
  
  281-23-2 = 876-53-9 [标题:Reaction Conditions
  标题:Selective Dibromination Of Adamantane
  作者:Dovgan,N. L.; Et Al
  参考文献:Vestnik Kievskogo Politekhnicheskogo Instituta 日期:1979 卷标:16 页码:20-2]
  
  21816-08-0 = 876-53-9
  反应条件:1.1 Reagents: Iodobenzene Diacetate,Potassium Bromide,Oxygen Solvents: (Trifluoromethyl)Benzene; 17 - 22 H,25 °C
  标题:Decarboxylative Bromination Of Sterically Hindered Carboxylic Acids With Hypervalent Iodine(Iii) Reagents
  作者:Watanabe,Ayumi; Et Al
  参考文献:Organic Process Research & Development 日期:2020 卷标:24(7) 页码:1328-1334]
  
  768-90-1 = 876-53-9 [标题:Reaction Conditions
  标题:Investigations On Transition-State Geometry In The Aldol Condensation.
  作者:Denmark,Scott E.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1991 卷标:113(6) 页码:2177-94]
  
  768-90-1 = 876-53-9
  反应条件:1.1 Reagents: Bromine,Aluminum Bromide,Boron Tribromide; 90 Min,Rt -> 85 °C; 85 °C -> Rt1.2 Reagents: Sodium Bisulfite Solvents: Dichloromethane,Water; Cooled
  标题:3D Ruthenium Nanoparticle Covalent Assemblies From Polymantane Ligands For Confined Catalysis
  作者:Min,Yuanyuan; Et Al
  参考文献:Chemistry Of Materials 日期:2020 卷标:32(6) 页码:2365-2378]
  
  34913-44-5 = 876-53-9 [标题:Reaction Conditions
  标题:Thermolysis Of N,N-Dihalo Derivatives Of Bridgehead And Neopentylamines To The Corresponding Halides
  作者:Roberts,John T.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1980 卷标:45(26) 页码:5239-43]
  
  768-90-1 = 876-53-9
  反应条件:1.1 Reagents: 1,2-Dibromoethane,Magnesium Solvents: Butyl Ether,Argon2.1 Reagents: Bromine Solvents: Argon
  标题:Alkylation And Polyalkylation Of Adamantane And Its Homologs
  作者:Molle,G.; Et Al
  参考文献:Canadian Journal Of Chemistry 日期:1987 卷标:65(10) 页码:2428-33]
  
  16104-50-0 = 876-53-9
  反应条件:1.1 Catalysts: Chlorodimethylsilane2.1 -
  标题:Preparation Of 1-Silyl- And 1,3-Disilyladamantanes
  作者:Pai,Yi Ming; Et Al
  参考文献:Journal Of Organometallic Chemistry 日期:1984 卷标:270(3) 页码:271-5]
  
  34059-96-6 = 876-53-9
  反应条件:1.1 Catalysts: Chlorodimethylsilane2.1 -
  标题:Preparation Of 1-Silyl- And 1,3-Disilyladamantanes
  作者:Pai,Yi Ming; Et Al
  参考文献:Journal Of Organometallic Chemistry 日期:1984 卷标:270(3) 页码:271-5]
  
  5511-20-6 = 876-53-9
  反应条件:1.1 Reagents: Alumina2.1 -
  标题:Thermolysis Of N,N-Dihalo Derivatives Of Bridgehead And Neopentylamines To The Corresponding Halides
  作者:Roberts,John T.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1980 卷标:45(26) 页码:5239-43]
  
  768-90-1 = 876-53-9
  反应条件:1.1 Reagents: 1,2-Dibromoethane,Magnesium Solvents: Butyl Ether,Argon2.1 Reagents: Bromine Solvents: Argon
  标题:Alkylation And Polyalkylation Of Adamantane And Its Homologs
  作者:Molle,G.; Et Al
  参考文献:Canadian Journal Of Chemistry 日期:1987 卷标:65(10) 页码:2428-33]
  
  768-93-4 = 876-53-9
  反应条件:1.1 Reagents: 1,2-Dibromoethane,Magnesium Solvents: Butyl Ether,Argon2.1 Reagents: Bromine Solvents: Argon
  标题:Alkylation And Polyalkylation Of Adamantane And Its Homologs
  作者:Molle,G.; Et Al
  参考文献:Canadian Journal Of Chemistry 日期:1987 卷标:65(10) 页码:2428-33]
  
  872189-00-9 = 876-53-9 + 1488928-52-4
  反应条件:1.1 Reagents: Trifluoroacetic Anhydride,Hydrogen Peroxide Solvents: Dichloromethane,Water; 8 °C1.2 < 15 °C; 2 H,15 °C; 1 H,Reflux2.1 Reagents: Bromine Catalysts: Aluminum Chloride; 2 H,Reflux; 16 H,Rt
  标题:3-(1-Adamantyl)Furazans
  作者:Sheremetev,A. B.; Et Al
  参考文献:Chemistry Of Heterocyclic Compounds (New York 日期:2013 卷标:49(9) 页码:1358-1369

海关参考信息

• 2903399020-溴甲烷
• 💡 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

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管