CAS: 81-88-9; 9-(2-Carboxyphenyl)-3,6-Bis(Diethylamino)Xanthylium Chloride

• ⚠️《化妆品禁用原料目录》
• 英文名称9-(2-Carboxyphenyl)-3,6-Bis(Diethylamino)Xanthylium Chloride
• 中文名称罗丹明B
• IUPAC名称9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride
• 其它别名罗丹明b; 玫瑰红b; 蕊香红b; 若丹明b; 碱性玫瑰精; Basic Violet 10; Brilliant Pink B; Rhodamine O; Tetraethylrhodamine
• CAS编号81-88-9
• MFCD编号:MFCD00011931
• EINECS号:201-383-9
• FDA UNII编号:K7G5SCF8IL
• 分子式:C28H31ClN2O3
• 分子量:479.01
• 产品CID: 1811054
• 产品分类有机原料→生命科学→生化试剂→荧光探针,标记，染色

• 相似结构搜索
• InChIKey: PYWVYCXTNDRMGF-UHFFFAOYSA-N
• InChI=1S/C28H30N2O3.ClH/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数8.0

相似化合物

物理性质

• 熔点210-211 °C
• 沸点210-211 (分解)(文献)
• 闪点12°C
• 密度0.79 g/mL at 20 °C
• PH:3-4 (10g/l, H2O, 20°C)
• PSA:55.08
• LogP:3.9287
• 折射率1.6500 (估算)
• 溶解性水: Soluble1mg/mL
• 敏感性1.亮绿色闪光结晶粉状物，溶于水和酒精，呈带强荧光的蓝光红色溶液，易溶于溶纤素，微溶于丙酮；遇浓硫酸呈黄光棕色，有强的绿色荧光，稀释后呈大红色转为蓝光红色和橙色。其水溶液加氢氧化钠后加热，形成玫瑰红绒毛状沉淀。2.配合物具有荧光。与类脂质反应在粉红色背景下产生紫色。
• 外观形态绿色固体
• 储存条件室温
• 产品应用主要用于造纸工业染蜡光纸,打字纸,有光纸等;与磷钨钼酸作用生成色淀,用于制造油漆,图画等颜料,也可用于腈纶,麻,蚕丝等织物以及麦秆,皮革制品的染色.
• 性质描述亮绿色闪光结晶粉状物,溶于水和酒精,呈带强荧光的蓝光红色溶液,易溶于溶纤素,微溶于丙酮;遇浓硫酸呈黄光棕色,有强的绿色荧光,稀释后呈大红色转为蓝光红色和橙色.其水溶液加氢氧化钠后加热,形成玫瑰红绒毛状沉淀.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05;
  注释: Exclamation mark & Corrosion
• 危险类别急性毒性 类别4(经口)
  严重眼损伤 类别1
  水生慢性毒性 类别3
  皮肤腐蚀/刺激 类别2
  STOT SE 2
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别3(经口)
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2
  致癌性 类别2
  致突变性 类别2
  水生慢性毒性 类别4
  皮肤致敏 类别1
• 警示词Danger(危险)
• 危险描述H302 |吞咽有害.
  H318 |造成严重眼损伤.
  H412 |对水生生物有害并具有长期持续影响.
  H315 |造成皮肤刺激.
  H371 |可能损害器官.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H301 |吞咽会中毒.
  H335 |可能引起呼吸道刺激.
  H319 |造成严重眼刺激.
  H351 |怀疑致癌.
  H341 |怀疑导致遗传缺陷.
  H413 |可能对水生生物造成长期有害影响.
  H317 |可能引起皮肤过敏反应.
  H340 |可能导致遗传缺陷.
• 防范说明P264-P270-P273-P280-P305+P351+P338-P330-P391-P405-P501
• 危险等级9
• UN编号3077.0
• 危险品标志Xn,Xi,F
• 包装等级Ⅲ
• 安全声明7-16-24/25-26-36/37/39-39-36-22
• 危险类别码22-41-68-67-36-11-40-20/21/22-52/53
• WGK Germany3

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 Rhodamine B 主要起始原料 Phthalic Anhydride And 3-Diethylaminophenol
• 2747248-53-7 = 81-88-9
  反应条件:1.1 Reagents: Boron Trichloride Solvents: Dichloromethane,Tetrahydrofuran; -78 °C; -78 °C -> Rt; 75 Min,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt2.1 Reagents: Diisopropylethylamine Solvents: Acetonitrile; Rt -> 90 °C; 1 H,90 °C3.1 20 H,200 °C4.1 Reagents: Magnesate(1-),Dichloro(1-Methylethyl)-,Lithium (1:1) Solvents: Tetrahydrofuran; -78 °C; 30 Min,-78 °C; -78 °C -> 0 °C4.2 30 Min,0 °C; 0 °C -> Rt; 48 H,Rt; Rt -> 0 °C4.3 Solvents: Methanol; 0 °C4.4 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 10 Min,Acidified,Rt4.5 Reagents: Sodium Hydroxide Solvents: Dichloromethane,Water; Rt
  标题:Synthesis Of Rhodamines And Rosamines Using 3,6-Difluoroxanthone As A Common Intermediate
  作者:Arambula,Carlos; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(24) 页码:17856-17865]
  
  2747248-52-6 = 81-88-9
  反应条件:1.1 Reagents: Sodium Bicarbonate,Sodium Chloride,Sodium Hypochlorite,Potassium Bromide Catalysts: Tempo Solvents: Dichloromethane,Water; 1 H,Rt2.1 Reagents: Boron Trichloride Solvents: Dichloromethane,Tetrahydrofuran; -78 °C; -78 °C -> Rt; 75 Min,Rt2.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt3.1 Reagents: Diisopropylethylamine Solvents: Acetonitrile; Rt -> 90 °C; 1 H,90 °C4.1 20 H,200 °C5.1 Reagents: Magnesate(1-),Dichloro(1-Methylethyl)-,Lithium (1:1) Solvents: Tetrahydrofuran; -78 °C; 30 Min,-78 °C; -78 °C -> 0 °C5.2 30 Min,0 °C; 0 °C -> Rt; 48 H,Rt; Rt -> 0 °C5.3 Solvents: Methanol; 0 °C5.4 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 10 Min,Acidified,Rt5.5 Reagents: Sodium Hydroxide Solvents: Dichloromethane,Water; Rt
  标题:Synthesis Of Rhodamines And Rosamines Using 3,6-Difluoroxanthone As A Common Intermediate
  作者:Arambula,Carlos; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(24) 页码:17856-17865]
  
  88-67-5 + 134161-44-7 = 81-88-9
  反应条件:1.1 Reagents: Magnesate(1-),Dichloro(1-Methylethyl)-,Lithium (1:1) Solvents: Tetrahydrofuran; -78 °C; 30 Min,-78 °C; -78 °C -> 0 °C1.2 30 Min,0 °C; 0 °C -> Rt; 48 H,Rt; Rt -> 0 °C1.3 Solvents: Methanol; 0 °C1.4 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 10 Min,Acidified,Rt1.5 Reagents: Sodium Hydroxide Solvents: Dichloromethane,Water; Rt
  标题:Synthesis Of Rhodamines And Rosamines Using 3,6-Difluoroxanthone As A Common Intermediate
  作者:Arambula,Carlos; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(24) 页码:17856-17865]
  
  81-88-9 = 81-88-9
  反应条件:1.1 Reagents: Iron(2+),Tris(4H-1,2,4-Triazol-4-Amine-N1)-,Diperchlorate,Hydrate (Grafted By 1-Pyrenecarboxaldehyde,By Rhodamine B) Solvents: Toluene; 24 H,Reflux
  标题:Synergetic Spin Crossover And Fluorescence In One-Dimensional Hybrid Complexes
  作者:Wang,Chun-Feng; Et Al
  参考文献:Angewandte Chemie 日期:2015 卷标:54(5) 页码:1574-1577]
  
  2747248-55-9 = 81-88-9
  反应条件:1.1 20 H,200 °C2.1 Reagents: Magnesate(1-),Dichloro(1-Methylethyl)-,Lithium (1:1) Solvents: Tetrahydrofuran; -78 °C; 30 Min,-78 °C; -78 °C -> 0 °C2.2 30 Min,0 °C; 0 °C -> Rt; 48 H,Rt; Rt -> 0 °C2.3 Solvents: Methanol; 0 °C2.4 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 10 Min,Acidified,Rt2.5 Reagents: Sodium Hydroxide Solvents: Dichloromethane,Water; Rt
  标题:Synthesis Of Rhodamines And Rosamines Using 3,6-Difluoroxanthone As A Common Intermediate
  作者:Arambula,Carlos; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(24) 页码:17856-17865]
  
  = 81-88-9
  反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Acetonitrile; Rt -> 90 °C; 1 H,90 °C2.1 20 H,200 °C3.1 Reagents: Magnesate(1-),Dichloro(1-Methylethyl)-,Lithium (1:1) Solvents: Tetrahydrofuran; -78 °C; 30 Min,-78 °C; -78 °C -> 0 °C3.2 30 Min,0 °C; 0 °C -> Rt; 48 H,Rt; Rt -> 0 °C3.3 Solvents: Methanol; 0 °C3.4 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 10 Min,Acidified,Rt3.5 Reagents: Sodium Hydroxide Solvents: Dichloromethane,Water; Rt
  标题:Synthesis Of Rhodamines And Rosamines Using 3,6-Difluoroxanthone As A Common Intermediate
  作者:Arambula,Carlos; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(24) 页码:17856-17865]
  
  450-83-9 + 348-57-2 = 81-88-9
  反应条件:1.1 Reagents: Magnesate(1-),Dichloro(1-Methylethyl)-,Lithium (1:1) Solvents: Tetrahydrofuran; -78 °C; 10 Min,-78 °C; -78 °C -> 0 °C; 30 Min,0 °C1.2 Solvents: Tetrahydrofuran; -78 °C; -78 °C -> Rt; Overnight,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; 10 Min,Rt2.1 Reagents: Sodium Bicarbonate,Sodium Chloride,Sodium Hypochlorite,Potassium Bromide Catalysts: Tempo Solvents: Dichloromethane,Water; 1 H,Rt3.1 Reagents: Boron Trichloride Solvents: Dichloromethane,Tetrahydrofuran; -78 °C; -78 °C -> Rt; 75 Min,Rt3.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt4.1 Reagents: Diisopropylethylamine Solvents: Acetonitrile; Rt -> 90 °C; 1 H,90 °C5.1 20 H,200 °C6.1 Reagents: Magnesate(1-),Dichloro(1-Methylethyl)-,Lithium (1:1) Solvents: Tetrahydrofuran; -78 °C; 30 Min,-78 °C; -78 °C -> 0 °C6.2 30 Min,0 °C; 0 °C -> Rt; 48 H,Rt; Rt -> 0 °C6.3 Solvents: Methanol; 0 °C6.4 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 10 Min,Acidified,Rt6.5 Reagents: Sodium Hydroxide Solvents: Dichloromethane,Water; Rt
  标题:Synthesis Of Rhodamines And Rosamines Using 3,6-Difluoroxanthone As A Common Intermediate
  作者:Arambula,Carlos; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(24) 页码:17856-17865

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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