sodium 4-hydroxy-3-[(E)-2-(2-methoxyphenyl)diazen-1-yl]naphthalene-1-sulfonate

• ChemBase编号: 103690
• 分子式: C17H13N2NaO5S
• 平均质量: 380.35029
• 单一同位素质量: 380.04428681
• SMILES: [Na+].COc1c(cccc1)/N=N/c1cc(c2ccccc2c1O)S(=O)(=O)[O-]
• Canonical SMILES: COc1ccccc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C17H14N2O5S.Na/c1-24-15-9-5-4-8-13(15)18-19-14-10-16(25(21,22)23)11-6-2-3-7-12(11)17(14)20;/h2-10,20H,1H3,(H,21,22,23);/q;+1/p-1
• InChIKey: ZXGIHDNEIWPDFW-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 4-hydroxy-3-[(E)-2-(2-methoxyphenyl)diazen-1-yl]naphthalene-1-sulfonate; sodium 4-hydroxy-3-[2-(2-methoxyphenyl)diazen-1-yl]naphthalene-1-sulfonate
• IUPAC传统名: sodium 4-hydroxy-3-[(E)-2-(2-methoxyphenyl)diazen-1-yl]naphthalene-1-sulfonate; sodium 4-hydroxy-3-[2-(2-methoxyphenyl)diazen-1-yl]naphthalene-1-sulfonate; potassium 4-hydroxy-3-[2-(2-methoxyphenyl)diazen-1-yl]naphthalene-1-sulfonate
• 别名: sodium 4-hydroxy-3-(2-methoxyphenylazo)Naphthalenesulphonate; Acid Red 4; AZO EOSIN; C.I. 14710; ACID RED 4

登记号

• CAS号: 5858-39-9
• EC号: 227-490-0
• MDL号: MFCD00003939
• PubChem SID: 24852554; 162090742
• PubChem CID: 23719919
• Color Index Number: 14710

理论计算性质

• Acid pKa: -2.3988767
• 质子受体: 7
• 质子供体: 1
• LogD (pH = 5.5): 1.7118884
• LogD (pH = 7.4): 1.7118042
• Log P: 2.0754082
• 摩尔折射率: 94.7721 cm^3
• 极化性: 36.692448 Å^3
• 极化表面积: 111.38 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: > 93°C
• 紫外吸收波长: λmax 376 nm; λmax 508 nm (2nd)

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: 97%; Dye Content ~45%
• 主要成分: Dye content, 50%
• Empirical Formula (Hill Notation): C17H13N2NaO5S

详细说明

MP Biomedicals - 05204735

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02152607

C.I. 14710
Dye content: ~ 45%