1-(2-phenyldiazen-1-yl)naphthalen-2-ol

• ChemBase编号: 104651
• 分子式: C16H12N2O
• 平均质量: 248.27928
• 单一同位素质量: 248.09496301
• SMILES: Oc1ccc2ccccc2c1/N=N/c1ccccc1
• Canonical SMILES: Oc1ccc2c(c1/N=N/c1ccccc1)cccc2
• InChI: InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H
• InChIKey: MRQIXHXHHPWVIL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(2-phenyldiazen-1-yl)naphthalen-2-ol; 1-[(E)-2-phenyldiazen-1-yl]naphthalen-2-ol
• IUPAC传统名: 1-(phenylazo)-2-naphthol; sudan 1
• 别名: 1-苯偶氮基-2-萘酚; 溶剂黄 14; 苏丹 I; Sudan I; BENZENEAZO-β-NAPHTHOL; 1-Phenylazo-2-naphthol; Solvent Yellow 14; SUDAN I; 1-(2-Phenyldiazenyl)-2-naphthalenol; Sudan Yellow; 1-(Phenylazo)-2-hydroxynaphthalene; 2-Hydroxy-1-(phenylazo)naphthalene; 2-Hydroxynaphthyl-1-azobenzene; Benzeneazo-β-naphthol; NSC 11227; NSC 51524

登记号

• CAS号: 842-07-9
• EC号: 212-668-2
• MDL号: MFCD00003911
• PubChem SID: 162091697; 24873716; 24846615
• PubChem CID: 5359509
• CHEBI ID: 30958
• Chemspider ID: 10296256
• KEGG ID: C19525
• 维基百科标题: Sudan_I
• Color Index Number: 12055

理论计算性质

• Acid pKa: 11.835566
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 5.0650496
• LogD (pH = 7.4): 5.065035
• Log P: 5.065051
• 摩尔折射率: 78.8081 cm^3
• 极化性: 29.744211 Å^3
• 极化表面积: 44.95 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO; Ethyl Acetate
• 外观: Red Solid
• 熔点: 130-132°C; 131 °C; 131-133 °C(lit.)
• 紫外吸收波长: λmax 418 nm; λmax 476 nm (2nd)

安全信息

• 保存条件: Amber Vial, Refrigerator, Under Inert Atmosphere; Room Temperature (15-30°C)
• RTECS编号: QL4900000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 2
• 危险公开号: 40-43-53-68
• 安全公开号: 22-36/37-46-61
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Warning
• GHS危险声明: H317-H341-H351-H413
• GHS警示性声明: P280

产品相关信息

• 纯度: ≥96.0% (HPLC)
• 级别: analytical standard, for food analysis
• 主要成分: Dye content, ≥95%
• 线性分子式: C6H5N=NC10H6OH

详细说明

MP Biomedicals - 02156702

C.I. 12055

MP Biomedicals - 05215996

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 103624

包装
25, 100 g in glass bottle
Application
Sudan I is a lysochrome, a diazo-conjugate dye, used as an industrial dye, added to products such as waxes, oils, petrol, solvents and polishes. Sudan I is a category 3 carcinogen previously, now banned, used to color certain foodstuffs.

Toronto Research Chemicals - S688885

A food azo-dye, a liver and urinary bladder carcinogen for rodents and a potent contact allergen and sensitizer for humans. Genotoxic and carcinogenic.

参考文献

• Skog, K., et al.: Carcinogenesis, 14, 2027 (1993)
• Slob, W., et al.: Toxicol. Sci., 84, 167 (1993)
• ,, Slob, W; Food and Chemical Toxicology 2006, 44, 933