potassium 2,4,5,7-tetrabromo-9-[2-(ethoxycarbonyl)phenyl]-3-oxo-3H-xanthen-6-olate

• ChemBase编号: 110363
• 分子式: C22H11Br4KO5
• 平均质量: 714.03404
• 单一同位素质量: 709.69770313
• SMILES: [K+].CCOC(=O)c1ccccc1c1c2cc(Br)c(=O)c(Br)c2oc2c(Br)c([O-])c(Br)cc12
• Canonical SMILES: CCOC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2c1cc(Br)c(=O)c2Br)Br)[O-].[K+]
• InChI: InChI=1S/C22H12Br4O5.K/c1-2-30-22(29)10-6-4-3-5-9(10)15-11-7-13(23)18(27)16(25)20(11)31-21-12(15)8-14(24)19(28)17(21)26;/h3-8,27H,2H2,1H3;/q;+1/p-1
• InChIKey: UKZQEOHHLOYJLY-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: potassium 2,4,5,7-tetrabromo-9-[2-(ethoxycarbonyl)phenyl]-3-oxo-3H-xanthen-6-olate
• IUPAC传统名: potassium ion ethyl eosin anion; potassium ethyl eosin anion
• 别名: EOSIN ETHYL; 2′,4′,5′,7′-Tetrabromoeosin ethyl ester potassium salt; Solvent Red 45; Eosin alcohol soluble; Eosin alcohol soluble; Ethyl eosin

登记号

• CAS号: 6359-05-3
• EC号: 228-793-0
• MDL号: MFCD00005039
• PubChem SID: 24851925; 162096942; 24868687
• PubChem CID: 23670843
• Color Index Number: 45386

理论计算性质

• Acid pKa: 3.7478757
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.3046155
• LogD (pH = 7.4): 4.83367
• Log P: 6.7893257
• 摩尔折射率: 153.9448 cm^3
• 极化性: 49.725456 Å^3
• 极化表面积: 75.66 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 紫外吸收波长: λmax 532 nm

安全信息

• 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

• 级别: certified by the Biological Stain Commission; for microscopy
• 主要成分: Dye content, 95%
• Empirical Formula (Hill Notation): C22H11Br4KO5

详细说明

MP Biomedicals - 05214686

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 199540

包装
5, 25 g in glass bottle
Suitability
Certified for use in the Stoval and Black method for demonstrating Negri bodies in the central nervous system of rabid animals.