pentafluorophenol

• ChemBase编号: 9652
• 分子式: C6HF5O
• 平均质量: 184.063556
• 单一同位素质量: 183.99475575
• SMILES: c1(F)c(F)c(O)c(c(c1F)F)F
• Canonical SMILES: Fc1c(O)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
• InChIKey: XBNGYFFABRKICK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pentafluorophenol
• IUPAC传统名: pentafluorophenol
• 别名: 2,3,4,5,6-五氟苯酚; 五氟苯酚; 2,3,4,5,6-五氟苯酚; 2,3,4,5,6-Pentafluorophenol; Pentafluorophenol; Pentafluorophenol; Pentafluorophenol; Perfluorophenol 99%; 2,3,4,5,6-pentafluorophenol; PFP

登记号

• CAS号: 771-61-9
• EC号: 212-235-8
• MDL号: MFCD00002156
• Beilstein号: 1912584
• PubChem SID: 160972959; 24867998; 24846624
• PubChem CID: 13041

理论计算性质

• Acid pKa: 5.765602
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.1974938
• LogD (pH = 7.4): 0.904295
• Log P: 2.3831902
• 摩尔折射率: 29.1209 cm^3
• 极化性: 10.361605 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 32-36°C; 34-36 °C(lit.); 34-36°C
• 沸点: 143 °C(lit.); 143°C; 143°C
• 闪点: 161.6 °F; 72 °C; 72°C; 72°C(161°F)
• 密度: 1.757
• 折射率: 1.4270

安全信息

• 保存注意事项: TOXIC, CORROSIVE; Toxic/Irritant/Air Sensitive/Store under Argon
• RTECS编号: SM6680000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); X; 刺激性(Irritant) (Xi)
• 联合国危险货物编号: UN3261
• 德国WGK号: 3
• 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: 21/22-34; 36/37/38
• 安全公开号: 26-36; 26-36/37/39-45
• TSCA收录: true; 是
• GHS危险品标识: GHS05; GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H301-H311-H314-H318; H315-H319-H335
• GHS警示性声明: P260-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥99%; 97%; 98%; 99%; 99+%
• 级别: analytical standard; ReagentPlus®
• 包装: ampule of 1000 mg
• 线性分子式: C6F5OH
• Empirical Formula (Hill Notation): C6HF5O

详细说明

Apollo Scientific Ltd - PC5630

Useful reagent for peptide coupling via the reactive PFP esters, often prepared by carbodiimide coupling.

Sigma Aldrich - 103799

Application
制备五氟苯酯，用于肽合成。
包装
5, 10, 100 g in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

参考文献

• Widely used for peptide coupling (see Appendix 6) via the active PFP esters, generally prepared by carbodiimide coupling: Liebigs Ann. Chem., 1421 (1973); Tetrahedron Lett., 1785 (1974). With Fmoc-protected amino acids, the coupling takes place very rapidly, which reduces the amount of Fmoc-cleavage during the peptide bond formation: Synthesis, 325 (1983). Fmoc protected PFP esters have also been applied in solid phase peptide synthesis: Tetrahedron, 44, 843 (1988). PFP esters have been recommended for preparation of derivatives of heterocyclic acids, effective where DCC or DIC alone fail: Synth. Commun., 28, 753 (1998).
• For preparation and use of the moderately stable PFP formate as a formylating agent for amines and amino acids, see: Synthesis, 510 (1987).