1-[2-(4-nitrophenyl)diazen-1-yl]naphthalen-2-ol

• ChemBase编号: 128817
• 分子式: C16H11N3O3
• 平均质量: 293.27684
• 单一同位素质量: 293.08004123
• SMILES: O=[N+]([O-])c1ccc(cc1)/N=N/c1c2ccccc2ccc1O
• Canonical SMILES: Oc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2
• InChI: InChI=1S/C16H11N3O3/c20-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)19(21)22/h1-10,20H/b18-17+
• InChIKey: WOTPFVNWMLFMFW-ISLYRVAYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[2-(4-nitrophenyl)diazen-1-yl]naphthalen-2-ol; 1-[(E)-2-(4-nitrophenyl)diazen-1-yl]naphthalen-2-ol
• IUPAC传统名: 1-[2-(4-nitrophenyl)diazen-1-yl]naphthalen-2-ol; para red
• 别名: 1-(4-硝基苯基偶氮)-2-萘酚; 1-(对硝基苯基偶氮)-2-萘酚; 对位红; 对位红; 1-(4-硝基苯基偶氮)-2-萘酚; 1-(p-Nitrophenylazo)-2-naphthol; 1-(4-Nitrophenylazo)-2-naphthol; Para Red; Pararot; 1-[(4-Nitrophenyl)azo]-2-naphthalenol; 1-((4-nitrophenyl)azo)-2-naphthol; 1-[(p-nitrophenyl)azo]-2-naphthalenol; 1-[(p-nitrophenyl)azo]-2-naphthol; paranitraniline rel; Pigment Red 1, C.I. 12070, Recolite Para Red l; Carnelio Para Red BS; Para Red; Para Red; C.I. 12070; 1-(4-Nitrophenylazo)-2-naphthol

登记号

• CAS号: 6410-10-2
• EC号: 229-093-8
• MDL号: MFCD00003908
• Beilstein号: 680469
• PubChem SID: 162223121; 24846529
• PubChem CID: 5360175
• Chemspider ID: 13544963
• 维基百科标题: Para_Red

理论计算性质

• Acid pKa: 11.335164
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 5.0050344
• LogD (pH = 7.4): 5.004985
• Log P: 5.005035
• 摩尔折射率: 85.1286 cm^3
• 极化性: 31.526375 Å^3
• 极化表面积: 88.09 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: Red solid
• 熔点: 248 - 252 °C; 248-252 °C(lit.); 248-252°C
• 紫外吸收波长: λmax 488 nm

安全信息

• RTECS编号: QL4510000
• 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; R36/37/38
• 安全公开号: 26; 26-37-60; S26, S36
• TSCA收录: 是
• 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; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥97.0% (HPLC)
• 级别: analytical standard, for food analysis
• 主要成分: Dye content, 95%
• 线性分子式: O2NC6H4N=NC10H6OH

详细说明

Sigma Aldrich - 100994

包装
25 g in glass bottle
Application
Para Red (100994) is used as a fat soluble chemical dye and food additive. It is a banned colorant and a number of analytical techniques have been developed to detect it in food. Para Red may be used to make standards for analysis.

参考文献

• Biological stain.