3,4-DICHLOROPENTAFLUOROBUTYRIC ACID

The Butanoic acid,3,4-dichloro-2,2,3,4,4-pentafluoro-, with the CAS registry number 375-07-5, has the systematic name of 3,4-dichloro-2,2,3,4,4-pentafluorobutanoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₄HCl₂F₅O₂.

The characteristics of Butanoic acid,3,4-dichloro-2,2,3,4,4-pentafluoro- are as followings: (1)ACD/LogP: 4.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.46; (8)ACD/KOC (pH 7.4): 1.41; (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: 1.383; (14)Molar Refractivity: 32.55 cm³; (15)Molar Volume: 139.3 cm³; (16)Polarizability: 12.9×10^-24cm³; (17)Surface Tension: 28.7 dyne/cm; (18)Density: 1.772 g/cm³; (19)Flash Point: 48.1 °C; (20)Enthalpy of Vaporization: 43.32 kJ/mol; (21)Boiling Point: 156 °C at 760 mmHg; (22)Vapour Pressure: 1.56 mmHg at 25°C. 

Preparation of Butanoic acid,3,4-dichloro-2,2,3,4,4-pentafluoro-: This chemical can be prepared by 1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-butane. The reaction will need reagent Cl₂ and nitrogen oxides. The reaction temperature of 500°C, and the yield is about 72%. 

 

Uses of Butanoic acid,3,4-dichloro-2,2,3,4,4-pentafluoro-: It can be used produce 2,2,3,4,4-pentafluoro-but-3-enoic acid. This reaction will need reagent Zn - dust, and the menstruum dioxane. The reaction time is 4 hours with heating, and the yield is about 73.6%.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible). 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(F)(C(F)(F)C(=O)O)C(Cl)(F)F
(2)InChI: InChI=1/C4HCl2F5O2/c5-3(9,4(6,10)11)2(7,8)1(12)13/h(H,12,13)
(3)InChIKey: WVWCLNDERHVFSB-UHFFFAOYAO