PERFLUOROPENTANOIC ACID

The Pentanoic acid,2,2,3,3,4,4,5,5,5-nonafluoro-, with the CAS registry number 2706-90-3, is also known as Nonafluoropentanoic acid. It belongs to the product categories of Analytical Chemistry; Ion-Pair Reagents for HPLC; LC/MS Ion-Pair Reagents for Basic Samples; Fluorous Chemistry; Fluorous Compounds; Synthetic Organic Chemistry. Its EINECS number is 220-300-7. This chemical's molecular formula is C₅HF₉O₂ and molecular weight is 264.05. What's more, its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid. It should be sealed and stored in a cool and dry place.

Physical properties of Pentanoic acid,2,2,3,3,4,4,5,5,5-nonafluoro- are: (1)ACD/LogP: 5.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.54; (5)ACD/BCF (pH 5.5): 1.13; (6)ACD/BCF (pH 7.4): 1.1; (7)ACD/KOC (pH 5.5): 3.29; (8)ACD/KOC (pH 7.4): 3.2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.29; (14)Molar Refractivity: 28.11 cm³; (15)Molar Volume: 154.9 cm³; (16)Surface Tension: 17.9 dyne/cm; (17)Density: 1.704 g/cm³; (18)Flash Point: 29.1 °C; (19)Enthalpy of Vaporization: 39.98 kJ/mol; (20)Boiling Point: 124.4 °C at 760 mmHg; (21)Vapour Pressure: 7.93 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodo-butane, carbon dioxide at the temperature of - 20 °C. This reaction will need reagent zinc-copper couple and various solvent(s). The yield is about 91%.

Uses of Pentanoic acid,2,2,3,3,4,4,5,5,5-nonafluoro-: it can be used to produce nonafluoro-valeryl fluoride. It will need reagent 1,1,2-trifluoro-2-chloroethyldiethylamine. The yield is about 85.3%.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
(2)InChI: InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
(3)InChIKey: CXZGQIAOTKWCDB-UHFFFAOYSA-N