disodium 12-[(2,4-disulfonatophenyl)amino]-10-phenyl-5,10λ5-diazatetraphen-10-ylium-2-sulfonate

• ChemBase编号: 103038
• 分子式: C28H17N3Na2O9S3
• 平均质量: 681.62382
• 单一同位素质量: 680.9922307
• SMILES: [Na+].[Na+].[O-]S(=O)(=O)c1cc2c(cc1)c1nc3c(cccc3)[n+](c3ccccc3)c1cc2Nc1ccc(cc1S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)c1ccc2c(c1)c(cc1c2nc2ccccc2[n+]1c1ccccc1)Nc1ccc(cc1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C28H19N3O9S3.2Na/c32-41(33,34)18-10-12-20-21(14-18)24(29-23-13-11-19(42(35,36)37)15-27(23)43(38,39)40)16-26-28(20)30-22-8-4-5-9-25(22)31(26)17-6-2-1-3-7-17;;/h1-16H,(H3,32,33,34,35,36,37,38,39,40);;/q;2*+1/p-2
• InChIKey: QZKHGYGBYOUFGK-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium 12-[(2,4-disulfonatophenyl)amino]-10-phenyl-5,10λ^5-diazatetraphen-10-ylium-2-sulfonate; disodium 12-[(2,4-disulfonatophenyl)amino]-10-phenyl-5,10$l^{5}-diazatetraphen-10-ylium-2-sulfonate
• IUPAC传统名: disodium 12-[(2,4-disulfonatophenyl)amino]-10-phenyl-5,10λ^5-diazatetraphen-10-ylium-2-sulfonate; dipotassium 12-[(2,4-disulfonatophenyl)amino]-10-phenyl-5,10$l^{5}-diazatetraphen-10-ylium-2-sulfonate
• 别名: AZO CARMINE B; Azocarmine B; Acid Red 103; AZOCARMINE B

登记号

• CAS号: 25360-72-9
• EC号: 246-897-4
• MDL号: MFCD00012125
• PubChem SID: 162089805; 24847256
• PubChem CID: 6099365
• Color Index Number: 50090

理论计算性质

• Acid pKa: -3.4354553
• 质子受体: 11
• 质子供体: 1
• LogD (pH = 5.5): -1.3133811
• LogD (pH = 7.4): -1.3133861
• Log P: -0.5525528
• 摩尔折射率: 163.3467 cm^3
• 极化性: 65.73465 Å^3
• 极化表面积: 200.4 Å^2
• 可自由旋转的化学键: 6
• 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)
• 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 ~65%
• 级别: for microscopy
• Empirical Formula (Hill Notation): C28H17N3Na2O9S3

详细说明

MP Biomedicals - 05203098

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150413

C.I. 50090
Dye content: Approx. 65%

Sigma Aldrich - 11599

Analysis Note
λmax. ～516 nm (H2O)