1-[(E)-2-(pyridin-2-yl)diazen-1-yl]naphthalen-2-ol

• ChemBase编号: 103501
• 分子式: C15H11N3O
• 平均质量: 249.26734
• 单一同位素质量: 249.09021199
• SMILES: Oc1ccc2ccccc2c1/N=N/c1ncccc1
• Canonical SMILES: Oc1ccc2c(c1/N=N/c1ccccn1)cccc2
• InChI: InChI=1S/C15H11N3O/c19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14/h1-10,19H
• InChIKey: LLYOXZQVOKALCD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(E)-2-(pyridin-2-yl)diazen-1-yl]naphthalen-2-ol; 1-[2-(pyridin-2-yl)diazen-1-yl]naphthalen-2-ol
• IUPAC传统名: 1-[(E)-2-(pyridin-2-yl)diazen-1-yl]naphthalen-2-ol; 1-[2-(pyridin-2-yl)diazen-1-yl]naphthalen-2-ol
• 别名: 1-(2-联氮吡啶)-2-萘酚; 1-(2-Pyridylazo)-2-naphthol; PAN; 1-(2-PYRIDYLAZO)-2-NAPHTHOL

登记号

• CAS号: 85-85-8
• EC号: 201-637-9
• MDL号: MFCD00004071
• Beilstein号: 206390
• PubChem SID: 24846530; 162090608; 24860346
• PubChem CID: 5376264

理论计算性质

• Acid pKa: 11.809133
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 4.441835
• LogD (pH = 7.4): 4.441819
• Log P: 4.441836
• 摩尔折射率: 76.9647 cm^3
• 极化性: 28.814556 Å^3
• 极化表面积: 57.84 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: green to red, upon chelation with metal; orange-red, as an amorphous solid; yellow, when dissolved in organic solvent
• 熔点: 138-141 °C(lit.); 138-141°C
• 紫外吸收波长: λmax 462 nm

安全信息

• 保存条件: Room Temperature (15-30°C)
• 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
• 安全公开号: 26-36; 26-37
• 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: 98%
• 级别: ACS reagent; indicator for metal titration; indicator grade
• 适用性: complies for suitability for complexometry
• Empirical Formula (Hill Notation): C15H11N3O

详细说明

MP Biomedicals - 02151988

Indicator Grade
Reagent for the spectrophotometric determination of Ni, Co, V, and Zn.

Sigma Aldrich - 101036

包装
5, 25 g in glass bottle

参考文献

• Indicator for complexometry.
• Reagent for spectrophotometric determination of metals.