4-[2-(pyridin-4-yl)diazen-1-yl]pyridine

• ChemBase编号: 141786
• 分子式: C10H8N4
• 平均质量: 184.19732
• 单一同位素质量: 184.07489628
• SMILES: c1cnccc1/N=N/c1ccncc1
• Canonical SMILES: n1ccc(cc1)/N=N/c1ccncc1
• InChI: InChI=1S/C10H8N4/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H
• InChIKey: XUPMSLUFFIXCDA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[2-(pyridin-4-yl)diazen-1-yl]pyridine
• IUPAC传统名: 4-[2-(pyridin-4-yl)diazen-1-yl]pyridine
• 别名: 4,4′-偶氮吡啶; Azobis(4-pyridine); 4,4′-Azopyridine

登记号

• CAS号: 2632-99-7
• MDL号: MFCD00129061
• PubChem SID: 162236020
• PubChem CID: 238589

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.9232794
• LogD (pH = 7.4): 1.9435326
• Log P: 1.9437946
• 摩尔折射率: 56.0632 cm^3
• 极化性: 19.764166 Å^3
• 极化表面积: 50.5 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

• 熔点: 96-101 °C

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 22-36/37/38
• 安全公开号: 26-36/37
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H315-H319-H335
• GHS警示性声明: P261-P301 + P310-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

产品相关信息

• Empirical Formula (Hill Notation): C10H8N4

详细说明

Sigma Aldrich - 705055

包装
1, 5 g in glass bottle
Application
Reactant for preparation of:
• Flexible porous coordination polymers constructed from 1,2-bis(4-pyridyl)hydrazine via solvothermal in situ reduction reaction1
• Metal-organic frameworks based on transition-metal carboxylate clusters as secondary building units2
• Heteroaromatic azo compounds under Mitsunobu conditions3
• MnII, CoII, and ZnII coordination polymers4
• Low-dimensional and porous coordination compounds capable of supramolecular aromatic interactions5Reagent in:
• Facile Mitsunobu esterification reactions6