2-methoxypyridine

• ChemBase编号: 76853
• 分子式: C6H7NO
• 平均质量: 109.12588
• 单一同位素质量: 109.05276385
• SMILES: n1c(cccc1)OC
• Canonical SMILES: COc1ccccn1
• InChI: InChI=1S/C6H7NO/c1-8-6-4-2-3-5-7-6/h2-5H,1H3
• InChIKey: IWTFOFMTUOBLHG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxypyridine
• IUPAC传统名: 2-methoxypyridine
• 别名: 2-甲氧基吡啶; 2-Methoxypyridine; 2-methoxypyridine; Methyl pyridin-2-yl ether; 2-Methoxypyridine 99%; Methyl 2-pyridyl ether

登记号

• CAS号: 1628-89-3
• EC号: 216-623-8
• MDL号: MFCD00006262
• Beilstein号: 108189
• PubChem SID: 24896743; 162041755
• PubChem CID: 74201

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.1911516
• LogD (pH = 7.4): 1.1923444
• Log P: 1.1923597
• 摩尔折射率: 30.6778 cm^3
• 极化性: 11.948264 Å^3
• 极化表面积: 22.12 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 142 °C(lit.); 142-143°C; 142-143°C
• 闪点: 32 °C; 32°C; 32°C(89°F); 89.6 °F
• 密度: 1.038 g/mL at 25 °C(lit.); 1.046; 1.049
• 折射率: 1.5040; n20/D 1.503; n20/D 1.503(lit.)

安全信息

• 保存注意事项: Flammable/Irritant
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1993; UN3271
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 10-36/37/38
• 安全公开号: 26-36; 26-37
• TSCA收录: 否
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Warning
• GHS危险声明: H226-H315-H319-H335
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

产品相关信息

• 纯度: ≥98.0% (GC); 97%; 98%; 99%
• 级别: purum
• 杂质: ≤0.5% water
• Empirical Formula (Hill Notation): C6H7NO

详细说明

Sigma Aldrich - M25406

包装
25, 100 g in glass bottle

参考文献

• Can be metallated at the 3-position with LDA at -70^o: J. Org. Chem., 53, 1367 (1988). With the unimetal superbase complex formed from 2 mol of n-BuLi and I mol of 2-(Dimethylamino)ethanol, B23616, in hexane, products are obtained resulting from apparent metallation at the 6-position. A radical mechanism, rather than a true 6-metallation, has been proposed for this reaction: J. Chem. Soc., Perkin 1, 3071 (1997). Analogous results have been reported with 2-chloropyridine: Org. Lett., 2, 803 (2000).