trisodium 4,5-dihydroxy-3-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]naphthalene-2,7-disulfonate

• ChemBase编号: 104662
• 分子式: C16H9N2Na3O11S3
• 平均质量: 570.41377
• 单一同位素质量: 569.90615496
• SMILES: [Na+].[Na+].[Na+].Oc1cc(cc2cc(c(/N=N/c3ccc(cc3)S(=O)(=O)[O-])c(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: Oc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])/N=N/c1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C16H12N2O11S3.3Na/c19-12-7-11(31(24,25)26)5-8-6-13(32(27,28)29)15(16(20)14(8)12)18-17-9-1-3-10(4-2-9)30(21,22)23;;;/h1-7,19-20H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3
• InChIKey: AEHGQXKBQBMQEK-UHFFFAOYSA-K

名称和登记号

名称

• IUPAC标准名: trisodium 4,5-dihydroxy-3-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]naphthalene-2,7-disulfonate; trisodium 4,5-dihydroxy-3-[2-(4-sulfonatophenyl)diazen-1-yl]naphthalene-2,7-disulfonate
• IUPAC传统名: trisodium 4,5-dihydroxy-3-[2-(4-sulfonatophenyl)diazen-1-yl]naphthalene-2,7-disulfonate; trisodium 4,5-dihydroxy-3-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]naphthalene-2,7-disulfonate; tripotassium 4,5-dihydroxy-3-[2-(4-sulfonatophenyl)diazen-1-yl]naphthalene-2,7-disulfonate
• 别名: 钍锆试剂; 1,8-Dihydroxy-2-(4-sulfophenylazo)naphthalene-3,6-disulfonic acid trisodium salt; 2-(4-Sulfophenylazo)-1,8-dihydroxy-3,6-naphthalene disulfonic acid trisodium salt; 2-(4-Sulfophenylazo)chromotropic acid trisodium salt; Sulfanilic acid azochromotrop; 对磺基苯偶氮变色酸三钠; 变色酸; SPADNS; SPADNS; 2-(p-SULFOPHENYLAZO)-1,8-DIHYDROXY-3,6-NAPHTHALENEDISULFONIC ACID TRISODIUM SALT

登记号

• CAS号: 23647-14-5
• EC号: 245-803-9
• MDL号: MFCD00003952
• PubChem SID: 162091614; 24899830
• PubChem CID: 5484072

理论计算性质

• Acid pKa: -3.9407823
• 质子受体: 13
• 质子供体: 2
• LogD (pH = 5.5): -4.8287153
• LogD (pH = 7.4): -5.0504785
• Log P: -4.286925
• 摩尔折射率: 109.2914 cm^3
• 极化性: 44.108715 Å^3
• 极化表面积: 236.78 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: >300°C

安全信息

• 保存条件: Room Temperature (15-30°C)
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36; 26-37
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥80%
• Empirical Formula (Hill Notation): C16H9N2Na3O11S3

详细说明

MP Biomedicals - 02156729

Trisodium Salt

Sigma Aldrich - S9256

包装
10, 25, 50 g in glass bottle

参考文献

• Indicator for complexometry: Z. Anal. Chem., 147, 105 (1955); 148, 349 (1955).