2-bromo-5-chloro-3-nitropyridine

• ChemBase编号: 21947
• 分子式: C5H2BrClN2O2
• 平均质量: 237.43858
• 单一同位素质量: 235.89881699
• SMILES: c1(cnc(c(c1)[N+](=O)[O-])Br)Cl
• Canonical SMILES: Clc1cnc(c(c1)[N+](=O)[O-])Br
• InChI: InChI=1S/C5H2BrClN2O2/c6-5-4(9(10)11)1-3(7)2-8-5/h1-2H
• InChIKey: VFMIDVIAQMFGGP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-bromo-5-chloro-3-nitropyridine
• IUPAC传统名: 2-bromo-5-chloro-3-nitropyridine
• 别名: 2-Bromo-5-chloro-3-nitropyridine; 2-Bromo-5-chloro-3-nitropyridine

登记号

• CAS号: 75806-86-9
• MDL号: MFCD07368982
• PubChem SID: 160985254
• PubChem CID: 280681

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.273877
• LogD (pH = 7.4): 2.273877
• Log P: 2.273877
• 摩尔折射率: 43.4914 cm^3
• 极化性: 16.508562 Å^3
• 极化表面积: 56.03 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

• 熔点: 75 - 77°C
• 疏水性(logP): 1.984

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95%; 96%; 97%
• Empirical Formula (Hill Notation): C5H2BrClN2O2

详细说明

Sigma Aldrich - ADE000433

Other Notes
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