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| CAS No.: | 375-07-5 |
|---|---|
| Name: | 3,4-DICHLOROPENTAFLUOROBUTYRIC ACID |
| Molecular Structure: | |
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| Formula: | C4HCl2F5O2 |
| Molecular Weight: | 246.949 |
| Synonyms: | Butyricacid, 3,4-dichloro-2,2,3,4,4-pentafluoro- (7CI,8CI);3,4-Dichloro-2,2,3,4,4-pentafluorobutanoic acid;Butanoic acid, 3,4-dichloro-2,2,3,4,4-pentafluoro-;3,4-Dichloropentafluorobutyric acid; |
| Density: | 1.772 g/cm3 |
| Boiling Point: | 156 °C at 760 mmHg |
| Flash Point: | 48.1 °C |
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 37.30000 |
| LogP: | 2.44250 |
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Specification
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