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二甲酚橙 | 1611-35-4

二甲酚橙
Xylenol orange
1611-35-4
C31H32N2O13S
672.6564
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:二甲酚橙结构式
87563509
二甲酚橙价格
名称和标识符
MDL MFCD11975231
InChIKey ORZHVTYKPFFVMG-UHFFFAOYSA-N
Inchi 1S/C31H32N2O13S/c1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)47(44,45)46-31)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41/h3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)
SMILES S1(C2=C([H])C([H])=C([H])C([H])=C2C(C2C([H])=C(C([H])([H])[H])C(=C(C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)O[H])C=2[H])O[H])(C2C([H])=C(C([H])([H])[H])C(=C(C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)O[H])C=2[H])O[H])O1)(=O)=O
别名信息
- 中文别名 -
  • 二甲酚橙
  • 二甲苯酚橙
  • N,N-[3H-2,1-苯并恶硫羟-3-亚基双[(6-羟基-5-甲基-3,1-亚苯基)亚甲基]]双[N-(羧基甲基)甘氨酸]-S,S-二氧化物
  • Xylenol Orange 二甲酚橙
  • 二甲酚橙, 指示剂
  • 二甲酚橙,AR
  • 二甲酚橙,IND
  • 二甲酚橙二钠盐
  • 一站式易购平台 分析纯 化学试剂 乔科化学 二甲酚橙
  • 3,3′-双[N,N-二(羧甲基)氨基甲基]邻甲酚磺酰酞
  • 3,3'-双[N,N-二(羧甲基)氨基甲基]邻甲酚磺酰酞
  • 3,3'-双[N,N-双(羧甲基)氨甲基]邻甲酚磺酞二钠盐
  • S-二氧二甲酚橙,二甲酚橘黄
  • 二甲酚橙(3,3′-双[N,N-二(羧甲基)氨基甲基]邻甲酚磺酰酞)
  • 二甲酚橙,3,3'-Bis[N,N-bis(carboxymethyl)aminomethyl]-o-cresolsulfonphthalein Disodium Salt
  • 二甲酚橙三钠盐
  • 二甲酚桔黄
  • 二甲酚橘黄
  • 邻二甲苯
  • 邻甲酚磺酰酞-3,3′-双甲基亚氨基二乙酸
  • 邻甲酚磺酰酞-3,3'-双甲基亚氨基二乙酸
  • 指示剂级
- 英文别名 -
  • xylenol orange
  • o-cresolsulphonephthalein-6,6-di(methylaminodiacetic acid)
  • o-Cresolsulfonphthaleindi-(methyl-iminodiacetic acid)
  • Xylenol Orange disodium salt
  • Xylenol Orange(3,3'-Bis[N,N-bis(carboxymethyl)aminomethyl]
  • XYLENOL ORANGE, INDICATOR
  • 1,2-xylene
  • 2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
  • 3,3′-Bis[N,N-di(carboxyMethyl)aMinoMethyl]-o-cresolsulfonphthalein
  • 3,3'-Bis[N,N-bis(carboxymethyl)aminomethyl]-o-cresolsulfonphthalein Disodium Salt
  • IND
  • o-Cresolsulfonphth-alein-3,3′-bisMethyliMinodiac
  • Cresol Red DA
  • NSC 324982
  • m-Cresolphthalexon S
  • o-Cresolphthalexon S
  • S2VDY878QD
  • NSC324982
  • Glycine, N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-
  • 2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methyl-phenyl]-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxymethyl)amino]acetic acid
  • cresol phthalexon s
  • Glycine, N,N'-((1,1-dioxido-3H-2,1-benz
  • 2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
  • 2,2',2'',2'''-((((1,1-Dioxido-3H-benzo[c][1,2]oxathiole-3,3-diyl)bis(6-hydroxy-5-methyl-3,1-phenylene))bis(methylene))bis(azanetriyl))tetraacetic acid
  • 3,3-Bis[n,N-bis(carboxymethyl)aminomethyl]-O-cresolsulfonphthalein
  • CS-0169096
  • D88656
  • SCHEMBL41934
  • MFCD00014580
  • Glycine,N'-[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, S,S-dioxide
  • ORZHVTYKPFFVMG-UHFFFAOYSA-N
  • {[5-(3-{3-[(Bis-carboxymethyl-amino)-methyl]-4-hydroxy-5-methyl-phenyl}-1,1-dioxo-1,3-dihydro-1.lambda.6-benzo[c][1,2]oxathiol-3-yl)-2-hydroxy-3-methyl-benzyl]-carboxymethyl-amino}-acetic acid
  • FT-0633703
  • 3,3'-Bis(N,N-di-(carboxymethyl)aminomethyl)cresolsulfonephthalein
  • Xylenol orange
  • EINECS 216-553-8
  • NS00025256
  • 2,2',2'',2'''-((((1,1-Dioxido-3H-benzo[c][1,2]oxathiole-3,3-diyl)bis(6-hydroxy-5-methyl-3,1-phenylene))bis(methylene))bis(azanetriyl))tetraaceticacid
  • 1611-35-4
  • Q286281
  • PHENOLSULFONEPHTHALEIN, 3',3''-BIS((BIS(CARBOXYMETHYL)AMINO)METHYL)-5',5''-DIMETHYL-
  • 2-[[5-[3-[3-[[bis(2-hydroxy-2-oxoethyl)amino]methyl]-5-methyl-4-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-3-methyl-2-oxidanyl-phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
  • Xylenol Orange Sodium Salt (Technical Grade)
  • AKOS030228392
  • Glycine,N'-[[hydroxy(2-sulfophenyl)methylene]bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, .gamma.-sultone
  • 3,N-di-(carboxymethyl)aminomethyl]cresolsulfonephthalein
  • Glycine,N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-
  • Glycine, N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, S,S-dioxide
  • DTXSID1061819
  • Glycine, N,N'-((1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-
  • N,N'-(3H-2,1-Benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxy methyl)glycine) S,S-dioxide
  • ACETIC ACID, ((.ALPHA.-HYDROXY-O-SULFOBENZYLIDENE)BIS((6-HYDROXY-5-METHYL-M-PHENYLENE)METHYLENENITRILO))TETRA-, .GAMMA.-SULTONE
  • XYLENOL ORANGE [MI]
  • A810230
  • Acetic acid,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methyl-m-phenylene)methylenenitrilo]]tetra-, S,S-dioxide
  • Xylenol orange, indicator
  • UNII-S2VDY878QD
  • Acetic acid, (3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-m-phenylene)methylenenitrilo))tetra-, S,S-dioxide
  • NSC-324982
  • 2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
物化性质
实验特性
LogP 2.74860
PSA 247.89000
折射率 1.674
沸点 895.1±65.0 °C at 760 mmHg
熔点 72-76 °C(lit.)
闪点 495.1±34.3 °C
溶解度 微溶 (5.6 g/L) (25 ºC),
颜色与性状 红棕色粉末。
溶解性 易溶于水,不溶于无水醇。
敏感性 易吸潮
酸度系数(pKa) 2.6, 6.4, 6.5, 10.5, 12.3(at 25℃)
最大波长(λmax) 580nm
酸碱指示剂变色ph值范围 Yellow (6.4) to orange-red (10.4)
密度 1.564±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 672.16300
氢键供体数量 6
氢键受体数量 15
可旋转化学键数量 14
同位素质量 672.16251
重原子数量 47
复杂度 1170
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) -2.8
互变异构体数量 5
表面电荷 0
拓扑分子极性表面积 248
国际标准相关数据
EINECS 216-553-8
海关数据
海关编码 29349990
生产方法和用途
用途 用作酸碱指示剂和测定铋、钍、铅 、钴、铜、铁、铝的络合指示剂
相关文献
专业数据库参考
PubChemId 87563509
参考资料
Reaxys RN 1067958
产品用途
用作酸碱指示剂和测定铋、钍、铅 、钴、铜、铁、铝的络合指示剂
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