pyridine-2-carbonitrile

• ChemBase编号: 108263
• 分子式: C6H4N2
• 平均质量: 104.10936
• 单一同位素质量: 104.03744814
• SMILES: N#Cc1ccccn1
• Canonical SMILES: N#Cc1ccccn1
• InChI: InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H
• InChIKey: FFNVQNRYTPFDDP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pyridine-2-carbonitrile
• IUPAC传统名: 2-cyanopyridine
• 别名: 2-氰基吡啶; 2-吡啶甲腈; 2-氰基吡啶; 2-Pyridinecarbonitrile; 2-Azabenzonitrile; 2-Pyridinenitrile; 2-Pyridyl Cyanide; 2-Pyridylnitrile; NSC 59697; Picolinic Acid Nitrile; α-Cyanopyridine; Picolinonitrile; 2-Cyanopyridine; 2-Pyridinecarbonitrile; 2-CYANOPYRIDINE; picolinonitrile; Pyridine-2-carbonitrile; 2-Cyanopyridine

登记号

• CAS号: 100-70-9
• EC号: 202-880-3
• MDL号: MFCD00006218
• Beilstein号: 107710
• PubChem SID: 24893000; 162094026
• PubChem CID: 7522

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.99750715
• LogD (pH = 7.4): 0.99751973
• Log P: 0.9975199
• 摩尔折射率: 29.2507 cm^3
• 极化性: 11.264102 Å^3
• 极化表面积: 36.68 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 24-27 °C; 24-27 °C(lit.); 26-28°C
• 沸点: 212-214°C; 212-215 °C(lit.)
• 闪点: 192.2 °F; 89 °C; 89°C(192°F)
• 密度: 1.081; 1.081 g/mL at 25 °C(lit.)
• 折射率: 1.5290; n20/D 1.529(lit.)

安全信息

• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36; 22-36/37/38
• 安全公开号: 26; 26-36
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319-H335; H302-H319
• GHS警示性声明: P261-P305 + P351 + P338; P280F-P305+P351+P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (GC); 98%; 99%
• 级别: purum
• Empirical Formula (Hill Notation): C6H4N2

详细说明

MP Biomedicals - 05206715

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C94602

包装
5, 100, 500 g in glass bottle

Sigma Aldrich - 28570

Caution
储存时可能变为浅棕色
Other Notes
用于通过酰胺化修饰蛋白质的相应酰胺化物前体1

Toronto Research Chemicals - C982170

2-Cyanopyridine is a cyano substituted pyridine. 2-Cyanopyridine is a related compound of nicotine and is a component of tobacco smoke condensate.

参考文献

• Matsushima, S. et al.: Beit. Tabakforsch. Int., 10, 31 (1979)
• French, R.C. et al.: Physiol. Plant Pathol., 19, 201 (1979)