1-[(E)-2-[4-(2-phenyldiazen-1-yl)phenyl]diazen-1-yl]naphthalen-2-ol

• ChemBase编号: 103538
• 分子式: C22H16N4O
• 平均质量: 352.38864
• 单一同位素质量: 352.13241115
• SMILES: Oc1ccc2ccccc2c1/N=N/c1ccc(cc1)/N=N/c1ccccc1
• Canonical SMILES: Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2
• InChI: InChI=1S/C22H16N4O/c27-21-15-10-16-6-4-5-9-20(16)22(21)26-25-19-13-11-18(12-14-19)24-23-17-7-2-1-3-8-17/h1-15,27H
• InChIKey: FHNINJWBTRXEBC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(E)-2-[4-(2-phenyldiazen-1-yl)phenyl]diazen-1-yl]naphthalen-2-ol; 1-{2-[4-(2-phenyldiazen-1-yl)phenyl]diazen-1-yl}naphthalen-2-ol; 1-[(E)-2-{4-[(E)-2-phenyldiazen-1-yl]phenyl}diazen-1-yl]naphthalen-2-ol
• IUPAC传统名: 1-[(E)-2-[4-(2-phenyldiazen-1-yl)phenyl]diazen-1-yl]naphthalen-2-ol; 1-{2-[4-(2-phenyldiazen-1-yl)phenyl]diazen-1-yl}naphthalen-2-ol; oil red
• 别名: 苏丹红III; 1-[(4-苯基偶氮)苯基]偶氮-2-萘酚; 樱胶素红; 溶剂红 23; 猩红 B; 脂溶性苏丹; 脂肪丽春红 G; 苏丹红 BK; 苏丹红 G; 黄光油溶红; 苏丹 III; C.I. 26100; SUDAN III; 1-[4-(Phenylazo)phenylazo]-2-naphthol; Cerasin Red; Fat Ponceau G; Fat Soluble Sudan; Scarlet B; Solvent Red 23; Sudan G; Sudan Red BK; Tony Red; Sudan III; 1-[2-[4-(2-Phenyldiazenyl)phenyl]diazenyl]-2-naphthalenol; 1-[[4-(Phenylazo)phenyl]azo]-2-naphthalenol; Sudan 3; 1-(p-Phenylazophenylazo)-2-naphthol; 111440 Red; Toney Red

登记号

• CAS号: 85-86-9
• EC号: 201-638-4
• MDL号: MFCD00003905
• Beilstein号: 931185
• 默克索引号: 148884
• PubChem SID: 162090423; 24899589; 24899586
• PubChem CID: 5379348
• Chemspider ID: 16736189
• KEGG ID: C19527
• 美国药典/FDA物质标识码: ND733RX3JN
• 维基百科标题: Sudan_III
• Color Index Number: 26100

理论计算性质

• Acid pKa: 11.335522
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 7.4709415
• LogD (pH = 7.4): 7.4708943
• Log P: 7.4709444
• 摩尔折射率: 113.1271 cm^3
• 极化性: 40.959557 Å^3
• 极化表面积: 69.67 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO
• 外观: Dark Red Solid
• 熔点: 197-199°C; 199 °C; 199 °C (dec.)(lit.); 199°C; ca 200°C dec.

安全信息

• 保存条件: Amber Vial, Refrigerator; Room Temperature (15-30°C)
• RTECS编号: QK4250000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38-68
• 安全公开号: 26-36/37
• TSCA收录: 是
• GHS危险品标识: GHS07; GHS08
• GHS危险声明: H341-H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥96.0% (HPLC); Dye Content ~75%
• 级别: analytical standard, for food analysis; certified by the Biological Stain Commission; for microscopy
• 主要成分: Dye content, ≥80%
• Empirical Formula (Hill Notation): C22H16N4O

详细说明

MP Biomedicals - 02152087

C.I. 26100
Dye Content: ~ 75%

MP Biomedicals - 05218907

MP Biomedicals Rare Chemical collection

Sigma Aldrich - S4136

Suitability
Certified as a fat staining using the Churukian variant of the Lillie-Ashburn supersaturated isopropanol method. Sudan III is substituted for the oil red O in the procedure.

Toronto Research Chemicals - S688900

Weakly acidic azo dye. Biological stain.

参考文献

• Stiborova, M., et al.: Cancer Res., 62, 5678 (2002)
• Chen, H., et al.: Microbiology, 151, 1433 (2002)
• An, Y., et al.: Mutat. Res., 627, 164 (2002)
• Wang, S., et al.: J. Agric. Food Chem., 55, 3869 (2002)