2-cyanoethyl dichlorophosphinite

• ChemBase编号: 92958
• 分子式: C3H4Cl2NOP
• 平均质量: 171.949721
• 单一同位素质量: 170.94075574
• SMILES: N#CCCOP(Cl)Cl
• Canonical SMILES: ClP(OCCC#N)Cl
• InChI: InChI=1S/C3H4Cl2NOP/c4-8(5)7-3-1-2-6/h1,3H2
• InChIKey: ZSJQVOIPLQDHCE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-cyanoethyl dichlorophosphinite
• IUPAC传统名: 2-cyanoethyl dichlorophosphinite
• 别名: beta-Cyanoethylphosphorodichloridite; (2-Cyanoethoxy)dichlorophosphine; Phosphorodichloridous Acid 2-Cyanoethyl Ester; 2-Cyanoethyl Phosphorodichloridite

登记号

• CAS号: 76101-30-9
• MDL号: MFCD00040958
• PubChem SID: 162079656
• PubChem CID: 195897

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.3521
• LogD (pH = 7.4): 1.3521
• Log P: 1.3521
• 摩尔折射率: 35.9188 cm^3
• 极化性: 13.491094 Å^3
• 极化表面积: 33.02 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Clear Colorless Liquid
• 沸点: 105-108°C/32mm; 105-108°C/32 mm

安全信息

• 保存条件: Hygroscopic, Refrigerator, Under Inert Atmosphere
• 保存注意事项: Toxic

详细说明

Apollo Scientific Ltd - OR9810T

A protecting reagent in DNA synthesis. Also a phosphorylating agent.

Toronto Research Chemicals - C981000

A protecting reagent in DNA synthesis. Also a phosphorylating agent.