5-(chloromethyl)furan-2-carbaldehyde

• ChemBase编号: 164405
• 分子式: C6H5ClO2
• 平均质量: 144.5557
• 单一同位素质量: 143.99780708
• SMILES: c1cc(oc1C=O)CCl
• Canonical SMILES: ClCc1ccc(o1)C=O
• InChI: InChI=1S/C6H5ClO2/c7-3-5-1-2-6(4-8)9-5/h1-2,4H,3H2
• InChIKey: KAZRCBVXUOCTIO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(chloromethyl)furan-2-carbaldehyde
• IUPAC传统名: 5-(chloromethyl)furan-2-carbaldehyde
• 别名: 2-Formyl-5-chloromethylfuran; 5-(Chloromethyl)-2-furaldehyde; 5-(Chloromethyl)-2-furancarboxaldehyde; 5-(Chloromethyl)-2-furfural; 5-(Chloromethyl)furfuraldehyde; 5-Chloromethylfuran-2-carbaldehyde; 5-(Chloromethyl)furfural; 5-(chloromethyl)furan-2-carbaldehyde

登记号

• CAS号: 1623-88-7
• MDL号: MFCD02181084
• PubChem SID: 162258540
• PubChem CID: 74191

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.253238
• LogD (pH = 7.4): 1.253238
• Log P: 1.253238
• 摩尔折射率: 34.7773 cm^3
• 极化性: 12.851431 Å^3
• 极化表面积: 30.21 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.233

产品相关信息

• 纯度: 95%

详细说明

Toronto Research Chemicals - C369220

A lipid oxidation product derived from soybean phospholipids. It is a biofuel precursor in the co-processing of carbohydrates and lipids in oil crops for production of hybrid biodiesel.

参考文献

• Mascal, M. et al.: Energy Fuels., 24, 2170 (2010)
• Sessa, D.J. et al.: J. Agric. Food Chem., 27, 209 (2010)