{7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonyl chloride

• ChemBase编号: 163565
• 分子式: C10H15ClO3S
• 平均质量: 250.7423
• 单一同位素质量: 250.04304302
• SMILES: C1(=O)C2(CCC(C1)C2(C)C)CS(=O)(=O)Cl
• Canonical SMILES: O=C1CC2C(C1(CC2)CS(=O)(=O)Cl)(C)C
• InChI: InChI=1S/C10H15ClO3S/c1-9(2)7-3-4-10(9,8(12)5-7)6-15(11,13)14/h7H,3-6H2,1-2H3
• InChIKey: BGABKEVTHIJBIW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonyl chloride
• IUPAC传统名: {7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonyl chloride
• 别名: (1R)-(-)-樟脑-10-磺酰氯; (1S,4R)-7,7-Dimethyl-2-oxo-bicyclo[2.2.1]heptane-1-methanesulfonyl Chloride; 10-Camphorsulfonyl Chloride; (+)-10-Camphorsulfonic Acid Chloride; (S)-Camphor-10-sulfonyl Chloride; d-Camphorsulfonyl Chloride; (1S)-(+)-10-Camphorsulfonyl Chloride; (1R,4S)-7,7-Dimethyl-2-oxo-bicyclo[2.2.1]heptane-1-methanesulfonyl Chloride; (-)-Camphor-10-sulfonyl Chloride; (1R)-(-)-10-Camphorsulfonyl Chloride; L-(-)-10-Camphorsulfonyl chloride; (1R)-(-)-Camphor-10-sulfonyl chloride

登记号

• CAS号: 39262-22-1; 21286-54-4
• MDL号: MFCD00064155
• Beilstein号: 3205975
• PubChem SID: 162257700
• PubChem CID: 265799

理论计算性质

• Acid pKa: 19.964539
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.7480035
• LogD (pH = 7.4): 1.7480035
• Log P: 1.7480035
• 摩尔折射率: 58.2324 cm^3
• 极化性: 23.925394 Å^3
• 极化表面积: 51.21 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

• 溶解度: Acetone; Dichloromethane; Ethyl Acetate; Methanol
• 外观: White Solid
• 熔点: 64-68°C
• 比旋光度: -32 (c=1 in chloroform)

安全信息

• 保存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• 保存注意事项: Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: UN3261
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): II
• 危险公开号: 34
• 安全公开号: 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05
• GHS危险声明: H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

产品相关信息

• 纯度: 97%

详细说明

Toronto Research Chemicals - C175075

A chiral derivative of Camphor.

Toronto Research Chemicals - C175070

A chiral derivative of Camphor.

参考文献

• Peng, R., et al.: Biochem. Pharmacol., 35, 1391 (1986)
• Tanaka, E., et al.: Biochem. Pharmacol., 41, 472 (1986)
• Peng, R., et al.: Biochem. Pharmacol., 35, 1391 (1986)
• Tanaka, E., et al.: Biochem. Pharmacol., 41, 472 (1986)