disodium 4-amino-3-[2-(4-{4-[2-(1-amino-4-sulfonatonaphthalen-2-yl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]naphthalene-1-sulfonate

• ChemBase编号: 102899
• 分子式: C32H22N6Na2O6S2
• 平均质量: 696.66322
• 单一同位素质量: 696.08376302
• SMILES: [Na+].[Na+].Nc1c2ccccc2c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c2ccccc2c1N)S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: Nc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)[O-])cc(c2c1cccc2)S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2
• InChIKey: IQFVPQOLBLOTPF-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium 4-amino-3-[2-(4-{4-[2-(1-amino-4-sulfonatonaphthalen-2-yl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]naphthalene-1-sulfonate; disodium 4-amino-3-[(E)-2-(4-{4-[(E)-2-(1-amino-4-sulfonatonaphthalen-2-yl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]naphthalene-1-sulfonate
• IUPAC传统名: dipotassium 4-amino-3-[2-(4-{4-[2-(1-amino-4-sulfonatonaphthalen-2-yl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]naphthalene-1-sulfonate; disodium 4-amino-3-[2-(4-{4-[2-(1-amino-4-sulfonatonaphthalen-2-yl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]naphthalene-1-sulfonate; disodium 4-amino-3-[(E)-2-(4-{4-[(E)-2-(1-amino-4-sulfonatonaphthalen-2-yl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]naphthalene-1-sulfonate
• 别名: 刚果红 4B; 棉红 B; 棉红 C; 煮大红; 直接红 28; 直接红 R; 直接红 Y; 刚果红; 刚果红,指示剂级别; Cotton Red; Benzo Congo Red; Direct Red 28; C.I. 22120; Sodium Diphenyldiazo-bis(alpha-NAPH-Thylaminesulfonate); CONGO RED; Congo Red 4B; Cosmos Red; Cotton Red B; Cotton Red C; Direct Red R; Direct Red Y; Congo Red; Direct Red 28; Congo Red, indicator grade

登记号

• CAS号: 573-58-0
• EC号: 209-358-4
• MDL号: MFCD00004028
• Beilstein号: 3894858
• 默克索引号: 142498
• PubChem SID: 162090562
• PubChem CID: 11313
• CHEMBL: 429694
• Chemspider ID: 10838
• 医学主题词(MeSH): Congo+red
• 美国药典/FDA物质标识码: 3U05FHG59S
• 维基百科标题: Congo_red
• Color Index Number: 22120

理论计算性质

• Acid pKa: -4.14197
• 质子受体: 12
• 质子供体: 2
• LogD (pH = 5.5): 2.3623931
• LogD (pH = 7.4): 2.3623762
• Log P: 3.5718572
• 摩尔折射率: 181.135 cm^3
• 极化性: 69.99312 Å^3
• 极化表面积: 215.88 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: Powder
• 熔点: >360 °C(lit.); >360°C
• 紫外吸收波长: λmax 497 nm

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: QK1400000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 德国WGK号: 3
• 危险公开号: 45-63; R:45-63
• 安全公开号: 53-45; S:45-53
• TSCA收录: 是
• GHS危险品标识: GHS08
• GHS警示词: Danger
• GHS危险声明: H350-H361; H350-H361d
• GHS警示性声明: P201-P281-P308 + P313; P281-P201-P202-P308+P313-P405-P501A
• 个人保护装置: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Gloves, type P2 (EN 143) respirator cartridges

产品相关信息

• 纯度: ≥97.0% (HPLC); 95+%; Dye content ≈80%; Dye Content ~55%; Dye Content ~85%
• 级别: analytical standard; certified by the Biological Stain Commission; for microscopy (Bact., Bot., Hist.); indicator (pH 3.0-5.2); JIS special grade; Reag. Ph. Eur.
• 主要成分: Dye content, 85%
• pH范围: 3.0 - 5.0, blue to red
• Empirical Formula (Hill Notation): C32H22N6Na2O6S2

详细说明

MP Biomedicals - 02150711

High Purity Biological Stain
Dye Content: ~ 85%
Suitable for staining cytoplasm, erythrocytes and collagen^1 . Useful probe for conformational studies of nucleotide-binding enzymes^2 .

MP Biomedicals - 05214189

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02105099

C.I. 22120
Dye Content: ~ 55%
Absorption indicator for halide and thiocyanate determinations.
Indicator: pH 3.0 (blue) to pH 5.0 (red)

Sigma Aldrich - 860956

包装
5, 25 g in glass bottle

参考文献

• Biological Stains , 9th ed. : 147, Williams and Wilkins Co., Baltimore, MD, 1977.
• Biochemistry , 18 : 5197 (1979).