disodium 2,5-dichloro-4-{3-methyl-5-oxo-4-[2-(4-sulfonatophenyl)diazen-1-yl]-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonate

• ChemBase编号: 108194
• 分子式: C16H10Cl2N4Na2O7S2
• 平均质量: 551.28874
• 单一同位素质量: 549.9163346
• SMILES: [Na+].[Na+].CC1=NN(C(=O)C1/N=N/c1ccc(cc1)S(=O)(=O)[O-])c1cc(Cl)c(cc1Cl)S(=O)(=O)[O-]
• Canonical SMILES: CC1=NN(C(=O)C1/N=N/c1ccc(cc1)S(=O)(=O)[O-])c1cc(Cl)c(cc1Cl)S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C16H12Cl2N4O7S2.2Na/c1-8-15(20-19-9-2-4-10(5-3-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29;;/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
• InChIKey: FTZLWXQKVFFWLY-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium 2,5-dichloro-4-{3-methyl-5-oxo-4-[2-(4-sulfonatophenyl)diazen-1-yl]-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonate
• IUPAC传统名: dipotassium 2,5-dichloro-4-{3-methyl-5-oxo-4-[2-(4-sulfonatophenyl)diazen-1-yl]-4H-pyrazol-1-yl}benzenesulfonate; disodium 2,5-dichloro-4-{3-methyl-5-oxo-4-[2-(4-sulfonatophenyl)diazen-1-yl]-4H-pyrazol-1-yl}benzenesulfonate
• 别名: ACID YELLOW P; Lissamine Fast Yellow; C.I. Acid Yellow 17; C.I. 18965; Light Fast Yellow 2G; C.I. Food Yellow 5; Acid Leather Yellow 2GL; Erio Flavine SX; Fenalan Yellow G; Erio Flavine 3G; Kayacyl Yellow GG; Yellow 2G; Acid Yellow 17; Acid Yellow 17; Yellow 2G

登记号

• CAS号: 6359-98-4
• EC号: 228-819-0
• MDL号: MFCD00053367
• PubChem SID: 162093983
• PubChem CID: 4284331; 22842
• Chemspider ID: 3490830
• 维基百科标题: Yellow_2G
• Color Index Number: 18965
• E编码: E107

理论计算性质

• Acid pKa: -2.592097
• 质子受体: 10
• 质子供体: 0
• LogD (pH = 5.5): -1.5654826
• LogD (pH = 7.4): -1.5654874
• Log P: -1.1938782
• 摩尔折射率: 109.7658 cm^3
• 极化性: 43.34323 Å^3
• 极化表面积: 171.79 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

• 紫外吸收波长: λmax 400 nm

安全信息

• 德国WGK号: 3
• 安全公开号: S24 S25 S28A S37 S45
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥98.0% (HPLC)
• 级别: analytical standard
• 主要成分: Dye content, 60%
• Empirical Formula (Hill Notation): C16H10Cl2N4Na2O7S2

详细说明

MP Biomedicals - 05206435

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 201987

包装
100 g in glass bottle