sodium 4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-3-methylbenzene-1-sulfonate

• ChemBase编号: 103685
• 分子式: C17H13N2NaO4S
• 平均质量: 364.35089
• 单一同位素质量: 364.04937219
• SMILES: [Na+].Cc1c(ccc(c1)S(=O)(=O)[O-])/N=N/c1c2ccccc2ccc1O
• Canonical SMILES: Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)S(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C17H14N2O4S.Na/c1-11-10-13(24(21,22)23)7-8-15(11)18-19-17-14-5-3-2-4-12(14)6-9-16(17)20;/h2-10,20H,1H3,(H,21,22,23);/q;+1/p-1
• InChIKey: WPWNIQBSYQVEKJ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-3-methylbenzene-1-sulfonate
• IUPAC传统名: sodium 4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-3-methylbenzenesulfonate; potassium 4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-3-methylbenzenesulfonate
• 别名: Acid Orange 8; ACID ORANGE 8

登记号

• CAS号: 5850-86-2
• EC号: 227-458-6
• MDL号: MFCD00003895
• PubChem SID: 162103095; 24852841
• PubChem CID: 23682559
• Color Index Number: 15575

理论计算性质

• Acid pKa: -3.1801329
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 2.3829832
• LogD (pH = 7.4): 2.3829644
• Log P: 2.777761
• 摩尔折射率: 93.3501 cm^3
• 极化性: 35.920033 Å^3
• 极化表面积: 102.15 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 紫外吸收波长: λmax 490 nm

安全信息

• 保存条件: Room Temperature (15-30°C)
• 德国WGK号: 3

产品相关信息

• 纯度: Dye Content ~60%
• 主要成分: Dye content, 65%
• Empirical Formula (Hill Notation): C17H13N2NaO4S

详细说明

MP Biomedicals - 02152602

C.I. 15575
Dye content: ~ 60%

Sigma Aldrich - 214531

包装
50 g in glass bottle