disodium 6-[2-(5-chloro-2-hydroxy-3-sulfonatophenyl)diazen-1-yl]-5-hydroxynaphthalene-1-sulfonate

• ChemBase编号: 149101
• 分子式: C16H9ClN2Na2O8S2
• 平均质量: 502.8138
• 单一同位素质量: 501.9284235
• SMILES: c1cc2c(ccc(c2O)/N=N/c2cc(cc(c2O)S(=O)(=O)[O-])Cl)c(c1)S(=O)(=O)[O-].[Na+].[Na+]
• Canonical SMILES: Clc1cc(/N=N/c2ccc3c(c2O)cccc3S(=O)(=O)[O-])c(c(c1)S(=O)(=O)[O-])O.[Na+].[Na+]
• InChI: InChI=1S/C16H11ClN2O8S2.2Na/c17-8-6-12(16(21)14(7-8)29(25,26)27)19-18-11-5-4-9-10(15(11)20)2-1-3-13(9)28(22,23)24;;/h1-7,20-21H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
• InChIKey: UVDODHCPLWXDSI-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium 6-[2-(5-chloro-2-hydroxy-3-sulfonatophenyl)diazen-1-yl]-5-hydroxynaphthalene-1-sulfonate
• IUPAC传统名: disodium 6-[2-(5-chloro-2-hydroxy-3-sulfonatophenyl)diazen-1-yl]-5-hydroxynaphthalene-1-sulfonate
• 别名: 6-(5-Chloro-2-hydroxy-3-sulfophenylazo)-5-hydroxy-1-naphthalenesulfonic acid disodium salt; 6-(5-Chloro-2-hydroxy-4-sulfonphenylazo)-5-hydroxy-1-naphthalene-sulfonic acid sodium salt; Mordant Blue 9

登记号

• CAS号: 3624-68-8
• EC号: 222-828-3
• PubChem SID: 162243269; 24851678
• PubChem CID: 5359906
• Color Index Number: 14855

理论计算性质

• Acid pKa: -3.185329
• 质子受体: 10
• 质子供体: 2
• LogD (pH = 5.5): -0.37549853
• LogD (pH = 7.4): -0.37911478
• Log P: 0.016226934
• 摩尔折射率: 104.5954 cm^3
• 极化性: 41.351864 Å^3
• 极化表面积: 179.58 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 紫外吸收波长: λmax 516 nm

安全信息

• 德国WGK号: 3

产品相关信息

• 主要成分: Dye content, 50%
• 线性分子式: ClC6H2(OH)(SO3Na)N=NC10H5(OH)SO3Na

详细说明

Sigma Aldrich - 195219

包装
25 g in glass bottle