(2-chlorophenyl)(cyclopentyl)methanone

• ChemBase编号: 74478
• 分子式: C12H13ClO
• 平均质量: 208.68402
• 单一同位素质量: 208.06549272
• SMILES: O=C(c1ccccc1Cl)C1CCCC1
• Canonical SMILES: O=C(c1ccccc1Cl)C1CCCC1
• InChI: InChI=1S/C12H13ClO/c13-11-8-4-3-7-10(11)12(14)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
• InChIKey: QIJMMRNZBJHXRI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-chlorophenyl)(cyclopentyl)methanone
• IUPAC传统名: (2-chlorophenyl)(cyclopentyl)methanone
• 别名: 2-氯苯基环戊基酮; (2-Chlorophenyl)cyclopentyl ketone; (2-Chlorophenyl)cyclopentylmethanone; 2-Chlorophenyl Cyclopentyl Ketone; (2-Chlorobenzoyl)cyclopentane; Cyclopentyl 2-Chlorophenyl Ketone; Cyclopentyl o-Chlorophenyl Ketone; 2-Chlorophenyl cyclopentyl ketone

登记号

• CAS号: 6740-85-8
• EC号: 229-802-0
• MDL号: MFCD00038367
• Beilstein号: 1873022
• PubChem SID: 162039397
• PubChem CID: 81223

理论计算性质

• Acid pKa: 17.62606
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.8038716
• LogD (pH = 7.4): 3.8038716
• Log P: 3.8038716
• 摩尔折射率: 57.8668 cm^3
• 极化性: 22.575857 Å^3
• 极化表面积: 17.07 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

• 溶解度: Chloroform; Ethyl Acetate
• 外观: Clear Pale Yellow Oil
• 熔点: 96°C
• 沸点: 130°C/5mm; 130°C/5mm
• 闪点: >100°C(212°F)
• 密度: 1.16
• 折射率: 1.5470

安全信息

• 保存条件: Refrigerator
• TSCA收录: 否

产品相关信息

• 纯度: 97%

详细说明

Toronto Research Chemicals - C377820

2-Chlorophenyl Cyclopentyl Ketone is used as a reagent in the preparation of bicyclic and polycyclic aromatic hydrocarbons.

参考文献

• Zheng, H. et al.: Catal. Lett., 142, 573 (2012)
• Zhao, Y.-B. et al.: Angew. Chem. Int. Ed., 48, 1849 (2012)