pentafluorophenyl diphenylphosphinate

• ChemBase编号: 140091
• 分子式: C18H10F5O2P
• 平均质量: 384.236577
• 单一同位素质量: 384.03385729
• SMILES: c1ccc(cc1)P(=O)(c1ccccc1)Oc1c(c(c(c(c1F)F)F)F)F
• Canonical SMILES: Fc1c(OP(=O)(c2ccccc2)c2ccccc2)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C18H10F5O2P/c19-13-14(20)16(22)18(17(23)15(13)21)25-26(24,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
• InChIKey: OOWSDKUFKGVADH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pentafluorophenyl diphenylphosphinate
• IUPAC传统名: pentafluorophenyl diphenylphosphinate
• 别名: 五氟苯基二苯基磷酸酯; Diphenylphosphinic acid pentafluorophenyl ester; Pentafluorophenyl diphenylphosphinate

登记号

• CAS号: 138687-69-1
• MDL号: MFCD00192380
• PubChem SID: 24866201; 162234335
• PubChem CID: 4652311

理论计算性质

• 摩尔折射率: 85.498 cm^3
• 极化性: 32.08652 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.7239
• LogD (pH = 7.4): 5.7239
• Log P: 5.7239

分子性质

理化性质

• 熔点: 47-50 °C(lit.)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 线性分子式: (C6H5)2P(O)OC6F5

详细说明

Sigma Aldrich - 418080

包装
1, 5 g in glass bottle
Application
Catalyst involved in coupling and macrocyclization1Reagent used in:
• Fmoc solid-phase synthesis2
• Synthesis of phorboxazoles3, furan-based cyclic homoligopeptides4, and ziziphine N5