sodium 6-hydroxy-5-(2-phenyldiazen-1-yl)naphthalene-2-sulfonate

• ChemBase编号: 103137
• 分子式: C16H11N2NaO4S
• 平均质量: 350.32431
• 单一同位素质量: 350.03372212
• SMILES: [Na+].Oc1ccc2cc(ccc2c1/N=N/c1ccccc1)S(=O)(=O)[O-]
• Canonical SMILES: Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C16H12N2O4S.Na/c19-15-9-6-11-10-13(23(20,21)22)7-8-14(11)16(15)18-17-12-4-2-1-3-5-12;/h1-10,19H,(H,20,21,22);/q;+1/p-1
• InChIKey: YOCIQNIEQYCORH-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 6-hydroxy-5-(2-phenyldiazen-1-yl)naphthalene-2-sulfonate
• IUPAC传统名: sodium 6-hydroxy-5-(2-phenyldiazen-1-yl)naphthalene-2-sulfonate; potassium 6-hydroxy-5-(2-phenyldiazen-1-yl)naphthalene-2-sulfonate
• 别名: Crocein Orange G; Acid Orange 12; 1-Phenylazo-2-naphthol-6-sulfonic acid sodium salt; Ponceau 4 GB; CROCEIN ORANGE G

登记号

• CAS号: 1934-20-9
• EC号: 217-697-4
• MDL号: MFCD00003912
• Beilstein号: 4117392
• PubChem SID: 162090392; 24851863; 24856900
• PubChem CID: 23682007
• Color Index Number: 15970

理论计算性质

• Acid pKa: -2.414828
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 1.8695625
• LogD (pH = 7.4): 1.8695428
• Log P: 2.2929413
• 摩尔折射率: 88.3089 cm^3
• 极化性: 34.158016 Å^3
• 极化表面积: 102.15 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: > 280°C
• 紫外吸收波长: λmax 482 nm

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: QK2430000
• 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 ~90%
• 级别: Standard Fluka
• 主要成分: Dye content, 70%
• Empirical Formula (Hill Notation): C16H11N2NaO4S

详细说明

MP Biomedicals - 02150728

C.I. 15970
Dye Content: ~ 90%