CAS: 78775-11-8; 4-Bromo-3-Methylbenzaldehyde

• 英文名称4-Bromo-3-Methylbenzaldehyde
• 中文名称4-溴-3-甲基苯甲醛
• IUPAC名称4-bromo-3-methylbenzaldehyde
• 其它别名3-甲基-4-溴苯甲醛; 4-Bromo-3-Methyl-Benzaldehyde
• CAS编号78775-11-8
• MFCD编号:MFCD07787170
• EINECS号:801-786-5
• 分子式:C8H7BrO
• 分子量:199.05
• 产品CID: 1782314
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• InChIKey: YBXGUHGVNUFFJU-UHFFFAOYSA-N
• InChI=1S/C8H7BrO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数1.0

物理性质

• 熔点114-116 °C
• 沸点262°C at 760 mmHg
• 闪点96°C
• 密度1.5±0.1 g/cm3
• PSA:17.07
• LogP:2.57002
• 折射率1.597
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性Acetonitrle (Sparingly), Chloroform (Slightly), DMSO (Sparingly), Methanol (Spar
• 外观形态无色至白色油状物
• 储存条件在惰性气体(氮气或氩气)下 2-8°C
• 产品应用该化合物用于类阿片受体对立物.

MSDS等安全信息

• GHS符号GHS07
• 危险类别急性毒性 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P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险品标志Xi

欧盟法规

上下游产品

合成工艺路线路线简述

• 149104-89-2 = 78775-11-8
  反应条件:1.1 Reagents: Dimethyl Sulfoxide,Oxalyl Chloride Solvents: Dichloromethane; 20 Min,-78 °C1.2 Solvents: Dichloromethane; 1 H,-78 °C1.3 Reagents: Triethylamine; 1 H,-78 °C; 1 H,-78 °C -> Rt1.4 Reagents: Hydrochloric Acid Solvents: Water; Rt
  标题:Potent Benzimidazole Sulfonamide Protein Tyrosine Phosphatase 1B Inhibitors Containing The Heterocyclic (S)-Isothiazolidinone Phosphotyrosine Mimetic
  作者:Combs,Andrew P.; Zhu,Wenyu; Crawley,Matthew L.; Glass,Brian; Polam,Padmaja; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2006 卷标:49(13) 页码:3774-3789]
  
  41963-20-6 = 78775-11-8
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Toluene; -78 °C; 30 Min,-78 °C1.2 Reagents: Sulfuric Acid Solvents: Methanol,Water; Overnight,Rt
  标题:Synthesis And Evaluation Of Pparδ Agonists That Promote Osteogenesis In A Human Mesenchymal Stem Cell Culture And In A Mouse Model Of Human Osteoporosis
  作者:Kress,Brian J.; Kim,Dong Hyun; Mayo,Jared R.; Farris,Jeffery T.; Heck,Benjamin; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2021 卷标:64(10) 页码:6996-7032]
  
  149104-89-2 = 78775-11-8
  反应条件:1.1 Reagents: Dess-Martin Periodinane Solvents: Dichloromethane; 1 H,Rt1.2 Reagents: Sodium Bicarbonate,Sodium Thiosulfate Solvents: Water; Rt
  标题:Synthesis And Evaluation Of 1,2,4-Methyltriazines As Mglur5 Antagonists
  作者:Olson,Jeremy P.; Gichinga,Moses G.; Butala,Elizabeth; Navarro,Hernan A.; Gilmour,Brian P.; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2011 卷标:9(11) 页码:4276-4286]
  
  148547-19-7 = 78775-11-8
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Dichloromethane; 23 Min,0 °C; 0 °C -> Rt; 4 H,Rt; Rt -> 0 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 0 °C
  标题:Surveillance Of Cancer Stem Cell Plasticity Using An Isoform-Selective Fluorescent Probe For Aldehyde Dehydrogenase 1A1
  作者:Anorma,Chelsea; Hedhli,Jamila; Bearrood,Thomas E.; Pino,Nicholas W.; Gardner,Sarah H.; Et Al
  参考文献:Acs Central Science 日期:2018 卷标:4(8) 页码:1045-1055]
  
  7697-28-1 = 78775-11-8
  反应条件:1.1 Reagents: (Dimethyl Sulfide)Trihydroboron Solvents: Diethyl Ether; 0 °C; Overnight,Reflux1.2 Solvents: Methanol; 2 H1.3 Reagents: Dimethyl Sulfoxide,Oxalyl Chloride Solvents: Dichloromethane; 20 Min,-78 °C; 30 Min,-78 °C1.4 Solvents: Dichloromethane; 10 Min,-78 °C; 1 H,-78 °C1.5 Reagents: Triethylamine; 1 H,-78 °C; -78 °C -> 0 °C1.6 Reagents: Water
  标题:A One-Pot Allylation-Hydrostannation Sequence With Recycling Of The Intermediate Tin Waste
  作者:Ghosh,Banibrata; Amado-Sierra,Maria Del Rosario I.; Holmes,Daniel; Maleczka,Robert E. Jr.
  参考文献:Organic Letters 日期:2014 卷标:16(9) 页码:2318-2321]
  
  149104-89-2 = 78775-11-8
  反应条件:1.1 Reagents: Pyridinium Chlorochromate Solvents: Dichloromethane; 0 °C; 90 Min,0 °C
  标题:Synthesis And Characterization Of Aryl Thioacetyl Styrene Monomers: Towards A New Generation Of Sers-Active Polymers
  作者:Al-Hourani,Baker Jawabrah; Bravo-Vasquez,Juan P.; Hermann High,L. R.; Fenniri,Hicham
  参考文献:Tetrahedron Letters 日期:2007 卷标:48(52) 页码:9144-9147]
  
  149104-89-2 = 78775-11-8
  反应条件:1.1 Reagents: Manganese Oxide (Mno2) Solvents: Chloroform; 18 H,70 °C
  标题:Discovery Of Gsk1070916,A Potent And Selective Inhibitor Of Aurora B/c Kinase
  作者:Adams,Nicholas D.; Adams,Jerry L.; Burgess,Joelle L.; Chaudhari,Amita M.; Copeland,Robert A.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2010 卷标:53(10) 页码:3973-4001]
  
  7697-28-1 = 78775-11-8
  反应条件:1.1 Reagents: O-Methylhydroxylamine (Polymer-Supported),1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Hydrochloride Solvents: Dimethylformamide1.2 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene Solvents: Toluene1.3 Reagents: 4-Bromobenzyl Bromide1.4 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran1.5 Reagents: Potassium Sodium Tartrate,Potassium Bisulfate Solvents: Water
  标题:Parallel Synthesis Of Aldehydes And Ketone Facilitated By A New Solid-Phase Weinreb Amide
  作者:Salvino,Joseph M.; Mervic,Miljenko; Mason,Helen J.; Kiesow,Terence; Teager,David; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1999 卷标:64(6) 页码:1823-1830

海关参考信息

• 2912110000-甲醛
  2912210000-苯甲醛
• 💡 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

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