tetrasodium 4,5-dihydroxy-3,6-bis[2-(2-sulfonatophenyl)diazen-1-yl]naphthalene-2,7-disulfonate

• ChemBase编号: 105982
• 分子式: C22H12N4Na4O14S4
• 平均质量: 776.56816
• 单一同位素质量: 775.88236221
• SMILES: [Na+].[Na+].[Na+].[Na+].Oc1c(/N=N/c2ccccc2S(=O)(=O)[O-])c(cc2c1c(O)c(/N=N/c1ccccc1S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: Oc1c2c(cc(c1/N=N/c1ccccc1S(=O)(=O)[O-])S(=O)(=O)[O-])cc(c(c2O)/N=N/c1ccccc1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C22H16N4O14S4.4Na/c27-21-18-11(9-16(43(35,36)37)19(21)25-23-12-5-1-3-7-14(12)41(29,30)31)10-17(44(38,39)40)20(22(18)28)26-24-13-6-2-4-8-15(13)42(32,33)34;;;;/h1-10,27-28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;;/q;4*+1/p-4
• InChIKey: FCMRBZBGGXLKBC-UHFFFAOYSA-J

名称和登记号

名称

• IUPAC标准名: tetrasodium 4,5-dihydroxy-3,6-bis[2-(2-sulfonatophenyl)diazen-1-yl]naphthalene-2,7-disulfonate; tetrasodium 4,5-dihydroxy-3,6-bis[(E)-2-(2-sulfonatophenyl)diazen-1-yl]naphthalene-2,7-disulfonate
• IUPAC传统名: tetrapotassium 4,5-dihydroxy-3,6-bis[2-(2-sulfonatophenyl)diazen-1-yl]naphthalene-2,7-disulfonate; tetrasodium 4,5-dihydroxy-3,6-bis[(E)-2-(2-sulfonatophenyl)diazen-1-yl]naphthalene-2,7-disulfonate; tetrasodium 4,5-dihydroxy-3,6-bis[2-(2-sulfonatophenyl)diazen-1-yl]naphthalene-2,7-disulfonate
• 别名: 偶氮磺 III 四钠盐; 2,7-双(2-磺酰苯基偶氮)变色酸 四钠盐; 3,6-双(2-磺酰苯基偶氮)-4,5-二羟基-2,7-萘二磺酸 四钠盐; 偶氮磺 III 钠盐; Tetrasodium 4,5-dihydroxy-3,6-bis[(2-sulfonatophenyl)azo]naphthalene-2,7-disulfonate; Sulfonazo III salt; 3,6-bis[o-Sulfophenylazo]-4,5-di-hydroxy-2,7-naphthalenedisulfonic acid; SULFONAZO III SODIUM SALT; Sulfonazo III sodium salt; 2,7-Bis(2-sulfophenylazo)chromotropic acid tetrasodium salt; 3,6-Bis(2-sulfophenylazo)-4,5-dihydroxy-2,7-naphthalenedisulfonic acid tetrasodium salt

登记号

• CAS号: 68504-35-8; 164581-28-6
• EC号: 270-924-9; 217-089-9
• MDL号: MFCD00003942
• Beilstein号: 1900148
• PubChem SID: 162092704; 24888554
• PubChem CID: 71299731

理论计算性质

• Acid pKa: -3.2960885
• 质子受体: 18
• 质子供体: 2
• LogD (pH = 5.5): -5.614601
• LogD (pH = 7.4): -5.6157365
• Log P: -4.990118
• 摩尔折射率: 153.1112 cm^3
• 极化性: 59.995693 Å^3
• 极化表面积: 318.7 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: ^=300°C; > 300°C
• 紫外吸收波长: λmax 567 nm; λmax 629 nm (2nd)

安全信息

• 保存条件: Room Temperature (15-30°C)
• 德国WGK号: 3
• 安全公开号: 22-24/25
• TSCA收录: 否
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 级别: titration indicator (for SO4)
• Empirical Formula (Hill Notation): C22H12N4Na4O14S4

详细说明

MP Biomedicals - 02195510

Sodium Salt
Indicator for titrimetric determination of sulfates and sulfur.

Sigma Aldrich - S6381

Analysis Note
Sodium content on label.

Sigma Aldrich - 86170

General description
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包装
5 g in glass bottle

参考文献

• Anal. Chem. , 37 : 1159, (1965).
• Indicator for determination of sulfates and sulfur: Anal. Chem., 37, 1159 (1965). Spectrophotometric reagent for alkaline earth metals.