2,5-dichloro-3-iodopyridine

• ChemBase编号: 54416
• 分子式: C5H2Cl2IN
• 平均质量: 273.88655
• 单一同位素质量: 272.86090243
• SMILES: c1(cnc(c(c1)I)Cl)Cl
• Canonical SMILES: Clc1cnc(c(c1)I)Cl
• InChI: InChI=1S/C5H2Cl2IN/c6-3-1-4(8)5(7)9-2-3/h1-2H
• InChIKey: VYVNSDZZIATDSY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dichloro-3-iodopyridine
• IUPAC传统名: 2,5-dichloro-3-iodopyridine
• 别名: 2,5-二氯-3-碘吡啶; 2,5-Dichloro-3-iodopyridine; 2,5-Dichloro-3-iodopyridine

登记号

• CAS号: 942206-23-7
• MDL号: MFCD09037444
• PubChem SID: 162059179
• PubChem CID: 42553073

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.1127844
• LogD (pH = 7.4): 3.1127844
• Log P: 3.1127844
• 摩尔折射率: 47.9345 cm^3
• 极化性: 18.74838 Å^3
• 极化表面积: 12.89 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: 51-53°C

安全信息

• 保存注意事项: IRRITANT; Light Sensitive
• 欧盟危险性物质标志: X
• 危险公开号: 22-36/37/38
• 安全公开号: 26-36/37
• TSCA收录: false; 否
• GHS危险品标识: GHS06
• GHS危险声明: H301-H315-H319-H335
• GHS警示性声明: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

产品相关信息

• 纯度: 97%; 98%
• Empirical Formula (Hill Notation): C5H2Cl2IN

详细说明

Sigma Aldrich - ADE000151

Other Notes
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