2,5-dichloro-3-(dimethoxymethyl)pyridine

• ChemBase编号: 54585
• 分子式: C8H9Cl2NO2
• 平均质量: 222.06856
• 单一同位素质量: 221.00103389
• SMILES: c1(cnc(c(c1)C(OC)OC)Cl)Cl
• Canonical SMILES: COC(c1cc(Cl)cnc1Cl)OC
• InChI: InChI=1S/C8H9Cl2NO2/c1-12-8(13-2)6-3-5(9)4-11-7(6)10/h3-4,8H,1-2H3
• InChIKey: JWEKIYARKOGXPR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dichloro-3-(dimethoxymethyl)pyridine
• IUPAC传统名: 2,5-dichloro-3-(dimethoxymethyl)pyridine
• 别名: 2,5-Dichloro-3-(dimethoxymethyl)pyridine; 2,5-Dichloro-3-(dimethoxymethyl)pyridine

登记号

• MDL号: MFCD18803499
• PubChem SID: 162059348
• PubChem CID: 50989169

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.338519
• LogD (pH = 7.4): 2.3385193
• Log P: 2.3385193
• 摩尔折射率: 51.9202 cm^3
• 极化性: 20.265173 Å^3
• 极化表面积: 31.35 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C8H9Cl2NO2

详细说明

Sigma Aldrich - ADE000208

Other Notes
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