2-ethoxy-3-iodopyridine

• ChemBase编号: 16199
• 分子式: C7H8INO
• 平均质量: 249.04899
• 单一同位素质量: 248.96506188
• SMILES: c1cnc(c(c1)I)OCC
• Canonical SMILES: CCOc1ncccc1I
• InChI: InChI=1S/C7H8INO/c1-2-10-7-6(8)4-3-5-9-7/h3-5H,2H2,1H3
• InChIKey: QOCXFQFGXYWCHJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-ethoxy-3-iodopyridine
• IUPAC传统名: 2-ethoxy-3-iodopyridine
• 别名: 2-乙氧基-3-碘吡啶; 2-Ethoxy-3-iodopyridine; 2-Ethoxy-3-iodo-pyridine; 2-Ethoxy-3-iodo-pyridine

登记号

• CAS号: 766557-60-2
• MDL号: MFCD00234318
• PubChem SID: 160979506
• PubChem CID: 17750184

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.4780803
• LogD (pH = 7.4): 2.4781117
• Log P: 2.478112
• 摩尔折射率: 48.7889 cm^3
• 极化性: 19.032116 Å^3
• 极化表面积: 22.12 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: 36/37/38
• 安全公开号: 26-37
• TSCA收录: false; 否
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 97%; 98%
• Empirical Formula (Hill Notation): C7H8INO

详细说明

Sigma Aldrich - ADE000294

Other Notes
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