disodium 5-[2-(4-hydroxyphenyl)diazen-1-yl]-2-(2-{4-[2-(4-hydroxyphenyl)diazen-1-yl]-2-sulfonatophenyl}ethenyl)benzene-1-sulfonate

• ChemBase编号: 102317
• 分子式: C26H18N4Na2O8S2
• 平均质量: 624.55266
• 单一同位素质量: 624.03614412
• SMILES: [Na+].[Na+].Oc1ccc(cc1)/N=N/c1ccc(/C=C/c2c(cc(cc2)/N=N/c2ccc(O)cc2)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-]
• Canonical SMILES: Oc1ccc(cc1)/N=N/c1ccc(c(c1)S(=O)(=O)[O-])/C=C/c1ccc(cc1S(=O)(=O)[O-])/N=N/c1ccc(cc1)O.[Na+].[Na+]
• InChI: InChI=1S/C26H20N4O8S2.2Na/c31-23-11-7-19(8-12-23)27-29-21-5-3-17(25(15-21)39(33,34)35)1-2-18-4-6-22(16-26(18)40(36,37)38)30-28-20-9-13-24(32)14-10-20;;/h1-16,31-32H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2
• InChIKey: YLDIUICHQPKMNH-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium 5-[2-(4-hydroxyphenyl)diazen-1-yl]-2-(2-{4-[2-(4-hydroxyphenyl)diazen-1-yl]-2-sulfonatophenyl}ethenyl)benzene-1-sulfonate
• IUPAC传统名: dipotassium 5-[2-(4-hydroxyphenyl)diazen-1-yl]-2-(2-{4-[2-(4-hydroxyphenyl)diazen-1-yl]-2-sulfonatophenyl}ethenyl)benzenesulfonate; disodium 5-[2-(4-hydroxyphenyl)diazen-1-yl]-2-(2-{4-[2-(4-hydroxyphenyl)diazen-1-yl]-2-sulfonatophenyl}ethenyl)benzenesulfonate
• 别名: Direct Yellow 4; BRILLIANT YELLOW; Brilliant Yellow; CHLORAZOL BRILLIANT YELLOW 3GS

登记号

• CAS号: 3051-11-4
• EC号: 221-267-1
• MDL号: MFCD00007489
• Beilstein号: 4122338
• PubChem SID: 24852007; 162088395
• PubChem CID: 5702677
• Color Index Number: 24890

理论计算性质

• Acid pKa: -4.1912785
• 质子受体: 12
• 质子供体: 2
• LogD (pH = 5.5): 2.1257188
• LogD (pH = 7.4): 2.0463252
• Log P: 3.1290991
• 摩尔折射率: 153.1142 cm^3
• 极化性: 56.265644 Å^3
• 极化表面积: 204.3 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

• 紫外吸收波长: λmax 397 nm

安全信息

• 保存条件: Room Temperature (15-30°C)
• 德国WGK号: 3
• 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 ~85%
• 主要成分: Dye content, 70%
• 变色范围: 6.5 - 8.0, orange to reddish-orange
• Empirical Formula (Hill Notation): C26H18N4Na2O8S2

详细说明

MP Biomedicals - 05208229

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02101115

C.I. 24890
Dye content: ~ 85%
Indicator:
pH range: 6.6-7.9.

Sigma Aldrich - 201375

包装
25, 100 g in glass bottle