disodium 2-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-5-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]benzene-1-sulfonate

• ChemBase编号: 104145
• 分子式: C22H14N4Na2O7S2
• 平均质量: 556.4787
• 单一同位素质量: 556.00992937
• SMILES: [Na+].[Na+].Oc1ccc2ccccc2c1/N=N/c1c(cc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: Oc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)[O-])/N=N/c1ccc(cc1)S(=O)(=O)[O-])cccc2.[Na+].[Na+]
• InChI: InChI=1S/C22H16N4O7S2.2Na/c27-20-12-5-14-3-1-2-4-18(14)22(20)26-25-19-11-8-16(13-21(19)35(31,32)33)24-23-15-6-9-17(10-7-15)34(28,29)30;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2
• InChIKey: VVAVKBBTPWYADW-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium 2-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-5-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]benzene-1-sulfonate; disodium 2-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-5-[2-(4-sulfonatophenyl)diazen-1-yl]benzene-1-sulfonate
• IUPAC传统名: disodium 2-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-5-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]benzenesulfonate; disodium 2-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-5-[2-(4-sulfonatophenyl)diazen-1-yl]benzenesulfonate; dipotassium 2-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-5-[2-(4-sulfonatophenyl)diazen-1-yl]benzenesulfonate
• 别名: Biebrich scarlet WS; Biebrich scarlet sodium salt; Ponceau BS; C.I. 26905; Acid Red 66; Ponceau BS; BIEBRICH SCARLET; BRILLIANT PONCEAU S; BIEBRICH SCARLET, WATER SOLUBLE

登记号

• CAS号: 4196-99-0
• EC号: 224-084-5
• MDL号: MFCD00003891
• Beilstein号: 3883900
• PubChem SID: 162092758; 24891888
• PubChem CID: 5359968
• Color Index Number: 26905

理论计算性质

• Acid pKa: -5.011889
• 质子受体: 11
• 质子供体: 1
• LogD (pH = 5.5): 1.0799628
• LogD (pH = 7.4): 1.0799103
• Log P: 1.6276284
• 摩尔折射率: 132.1287 cm^3
• 极化性: 49.953808 Å^3
• 极化表面积: 184.07 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: ethanol: soluble1 mg/mL; H2O: >30 mg/mL
• 闪点: >93.3°C
• 紫外吸收波长: λmax 505 nm

安全信息

• 保存条件: Room Temperature (15-30°C)
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): III
• 澳大利亚Hazchem: 2X
• 危险公开号: R:22
• 安全公开号: S:36/37/39
• 欧盟危险货物分类: T2
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 154
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: Dye Content ~60%
• 级别: for microscopy (Hist.)
• 主要成分: Dye content, ~60%; Dye content, 50%
• Empirical Formula (Hill Notation): C22H14N4Na2O7S2

详细说明

MP Biomedicals - 02154855

(C.I. 26905; Acid Red 66) Water soluble Dye content: ~ 60%

MP Biomedicals - 05205367

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B6008

包装
25, 100 g in glass bottle