disodium 6-hydroxy-5-[2-(4-sulfonatophenyl)diazen-1-yl]naphthalene-2-sulfonate

• ChemBase编号: 111312
• 分子式: C16H10N2Na2O7S2
• 平均质量: 452.36934
• 单一同位素质量: 451.97248123
• SMILES: [Na+].[Na+].Oc1ccc2cc(ccc2c1/N=N/c1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)[O-])ccc(c2)S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C16H12N2O7S2.2Na/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2
• InChIKey: OIQPTROHQCGFEF-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium 6-hydroxy-5-[2-(4-sulfonatophenyl)diazen-1-yl]naphthalene-2-sulfonate; disodium 6-hydroxy-5-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]naphthalene-2-sulfonate
• IUPAC传统名: dipotassium 6-hydroxy-5-[2-(4-sulfonatophenyl)diazen-1-yl]naphthalene-2-sulfonate; disodium 6-hydroxy-5-[2-(4-sulfonatophenyl)diazen-1-yl]naphthalene-2-sulfonate; disodium 6-hydroxy-5-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]naphthalene-2-sulfonate
• 别名: 食品黄 3; 落日黄 FCF; STILBENE YELLOW; Orange Yellow S; FD&C Yellow 6; C.I. 15985; E110; Sunset Yellow FCF; 6-Hydroxy-5-[2-(4-sulfophenyl)diazenyl]-2-naphthalenesulfonic Acid Sodium Salt; 1-p-Sulfophenylazo-2-hydroxynaphthalene-6-sulfonate disodium salt; 1351 Yellow; 1899 Yellow; Acid Food Yellow 3; Yellow S; Yellow SY; Yellow Sun; Food Yellow 3; Sunset Yellow FCF

登记号

• CAS号: 1325-37-7; 2783-94-0
• EC号: 220-491-7
• MDL号: MFCD00036437
• PubChem SID: 24870256; 162096751
• PubChem CID: 6093232
• CHEMBL: 1371409
• Chemspider ID: 11431290
• KEGG ID: C19531
• 美国药典/FDA物质标识码: H77VEI93A8
• 维基百科标题: Sunset_Yellow_FCF
• Color Index Number: 15985
• E编码: E110

理论计算性质

• Acid pKa: -3.4021719
• 质子受体: 9
• 质子供体: 1
• LogD (pH = 5.5): -1.3259302
• LogD (pH = 7.4): -1.3259492
• Log P: -0.724633
• 摩尔折射率: 97.8097 cm^3
• 极化性: 38.7441 Å^3
• 极化表面积: 159.35 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Water
• 外观: Red Solid
• 熔点: >300 °C(lit.); >300°C; 300°C
• 紫外吸收波长: λmax 482 nm

安全信息

• 保存条件: Amber Vial, Refrigerator
• RTECS编号: QK2450000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥95% (HPLC)
• 级别: analytical standard
• 主要成分: Dye content, 90%
• Empirical Formula (Hill Notation): C16H10N2Na2O7S2

详细说明

MP Biomedicals - 05218594

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 465224

包装
25 g in glass bottle

Toronto Research Chemicals - S825000

Provisionally listed for use in food, drugs and cosmetics. Sunset Yellow is useful in fermented foods which must be heat treated. It may be found in orange sodas, orange jelly, marzipan, Swiss rolls, apricot jam, citrus marmalade, lemon curd, sweets, hot

参考文献

• Radomski, J.L., et al.: J. Pharmacol. Exp. Ther., 136, 259 (1962)
• Gaunt, I.F., et al.: Food Cosmet. Toxicol., 5, 747 (1962)