trisodium 5-oxo-1-(4-sulfonatophenyl)-4-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]-4,5-dihydro-1H-pyrazole-3-carboxylate

• ChemBase编号: 104668
• 分子式: C16H9N4Na3O9S2
• 平均质量: 534.36337
• 单一同位素质量: 533.95040273
• SMILES: [Na+].[Na+].[Na+].[O-]C(=O)C1=NN(c2ccc(cc2)S(=O)(=O)[O-])C(=O)C1/N=N/c1ccc(cc1)S(=O)(=O)[O-]
• Canonical SMILES: [O-]C(=O)C1=NN(C(=O)C1/N=N/c1ccc(cc1)S(=O)(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3
• InChIKey: UJMBCXLDXJUMFB-UHFFFAOYSA-K

名称和登记号

名称

• IUPAC标准名: trisodium 5-oxo-1-(4-sulfonatophenyl)-4-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]-4,5-dihydro-1H-pyrazole-3-carboxylate; trisodium 5-oxo-1-(4-sulfonatophenyl)-4-[2-(4-sulfonatophenyl)diazen-1-yl]-4,5-dihydro-1H-pyrazole-3-carboxylate
• IUPAC传统名: trisodium 5-oxo-1-(4-sulfonatophenyl)-4-[2-(4-sulfonatophenyl)diazen-1-yl]-4H-pyrazole-3-carboxylate; trisodium 5-oxo-1-(4-sulfonatophenyl)-4-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]-4H-pyrazole-3-carboxylate; tripotassium 5-oxo-1-(4-sulfonatophenyl)-4-[2-(4-sulfonatophenyl)diazen-1-yl]-4H-pyrazole-3-carboxylate
• 别名: 酸性黄 23; 酒石黄; Tartrazine; C.I. 19140; Acid Yellow 23; TARTRAZINE

登记号

• CAS号: 1934-21-0
• EC号: 217-699-5
• MDL号: MFCD00148908
• Beilstein号: 69850
• PubChem SID: 162091684; 24888582; 24899885
• PubChem CID: 164825
• Color Index Number: 19140
• E编码: E102

理论计算性质

• Acid pKa: -2.9824858
• 质子受体: 12
• 质子供体: 0
• LogD (pH = 5.5): -6.128068
• LogD (pH = 7.4): -6.339953
• Log P: -2.296357
• 摩尔折射率: 112.7882 cm^3
• 极化性: 39.96159 Å^3
• 极化表面积: 211.92 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: Decomposes
• 密度: 1.9 g/ml
• 紫外吸收波长: λmax 425 nm

安全信息

• 保存条件: Room Temperature (15-30°C), Desiccate
• RTECS编号: UQ6400000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 1
• 危险公开号: 42/43; R:22
• 安全公开号: 22-36/37-45; S:36/37/39
• GHS危险品标识: GHS08
• GHS警示词: Danger
• GHS危险声明: H317-H334
• GHS警示性声明: P261-P280-P342 + P311
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

产品相关信息

• 纯度: ≥99.0% (HPLC); 95+%; Dye Content ~90%
• 级别: analytical standard; for microscopy (Hist.)
• 主要成分: Dye content, ≥85%; Dye content, 80%
• Empirical Formula (Hill Notation): C16H9N4Na3O9S2

详细说明

MP Biomedicals - 02156744

Dye content: ~ 90%

Sigma Aldrich - T0388

包装
100, 500 g in glass bottle