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| CAS No.: | 375-85-9 |
|---|---|
| Name: | Perfluoroheptanoic acid |
| Article Data: | 29 |
| Molecular Structure: | |
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| Formula: | C7HF13O2 |
| Molecular Weight: | 364.063 |
| Synonyms: | Heptanoicacid, tridecafluoro- (6CI,8CI,9CI);Perfluoro-n-heptanoic acid;Perfluoroenanthic acid;Tridecafluoroheptanoic acid; |
| EINECS: | 206-798-9 |
| Density: | 1.735 g/cm3 |
| Melting Point: | ~30 °C |
| Boiling Point: | 175.8 °C at 760 mmHg |
| Flash Point: | 51.3 °C |
| Solubility: | Insoluble in water. |
| Appearance: | white solid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 22-34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 37.30000 |
| LogP: | 3.80980 |
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Specification
The Heptanoic acid,2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro- with the CAS registry number 375-85-9 and EINECS registry number 206-798-9 is also called Perfluoroheptanoic acid. And the systematic name is tridecafluoroheptanoic acid. It is a kind of white solid and belongs to the classes of Analytical Chemistry; Ion-Pair Reagents for HPLC; LC/MS Ion-Pair Reagents for Basic Samples; Fluorous Chemistry; Fluorous Compounds; Synthetic Organic Chemistry. In addition, the molecular formula of the chemical is C7HF13O2 and the molecular weight is 364.06.
Physical properties about this chemical are: (1)ACD/LogP: 6.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 17.72; (6)ACD/BCF (pH 7.4): 17.11; (7)ACD/KOC (pH 5.5): 23.65; (8)ACD/KOC (pH 7.4): 22.84; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.289; (14)Molar Refractivity: 37.96 cm3; (15)Molar Volume: 209.8 cm3; (16)Polarizability: 15.05×10-24cm3; (17)Surface Tension: 17 dyne/cm; (18)Density: 1.735 g/cm3; (19)Flash Point: 51.3 °C; (20)Enthalpy of Vaporization: 45.44 kJ/mol; (21)Boiling Point: 175.8 °C at 760 mmHg; (22)Vapour Pressure: 0.539 mmHg at 25°C.
Preparation of Heptanoic acid,2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-: this chemical can be prepared by 6H-tridecafluoro-6-iodo-hexane and carbon dioxide. The reaction will need reagent Zn powder and solvent dimethylformamide. The reaction also needs ultrasound. The yield is about 77%.
Uses of Heptanoic acid,2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-: it can react with heptan-1-ol to produce 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-heptanoic acid heptyl ester. This reaction will need reagent conc. H2SO4. The reaction time is 48 hours with ambient temperature, and the yield is about 76%.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed, and may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; 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: FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)
(3)InChIKey: ZWBAMYVPMDSJGQ-UHFFFAOYAJ