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| CAS No.: | 336-08-3 |
|---|---|
| Name: | OCTAFLUOROADIPIC ACID |
| Molecular Structure: | |
|
|
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| Formula: | C6H2F8O4 |
| Molecular Weight: | 290.067 |
| Synonyms: | Hexanedioicacid, octafluoro- (6CI,7CI,8CI,9CI);Octafluoroadipic acid;Octafluorohexanedioic acid;Perfluoroadipic acid; |
| EINECS: | 206-407-1 |
| Density: | 1.806 g/cm3 |
| Melting Point: | 132-134 °C |
| Boiling Point: | 274.4 °C at 760 mmHg |
| Flash Point: | 119.8 °C |
| Solubility: | almost transparency in Water |
| Appearance: | white crystals with an acrid odour |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| PSA: | 74.60000 |
| LogP: | 1.69680 |
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Specification
The Hexanedioic acid,2,2,3,3,4,4,5,5-octafluoro-, with the CAS registry number 336-08-3, is also known as Octafluoroadipic acid. It belongs to the product categories of Fluorous Chemistry; Fluorous Compounds; Synthetic Organic Chemistry. Its EINECS number is 206-407-1. This chemical's molecular formula is C6H2F8O4 and molecular weight is 290.06. What's more, its IUPAC name is 2,2,3,3,4,4,5,5-octafluorohexanedioic acid.
Physical properties of Hexanedioic acid,2,2,3,3,4,4,5,5-octafluoro- are: (1)ACD/LogP: 6.63; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/BCF (pH 5.5): 1.14; (5)ACD/KOC (pH 5.5): 1.71; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 52.6 Å2; (10)Index of Refraction: 1.345; (11)Molar Refractivity: 34.14 cm3; (12)Molar Volume: 160.6 cm3; (13)Surface Tension: 28.4 dyne/cm; (14)Density: 1.806 g/cm3; (15)Flash Point: 119.8 °C; (16)Enthalpy of Vaporization: 56.44 kJ/mol; (17)Boiling Point: 274.4 °C at 760 mmHg; (18)Vapour Pressure: 0.00149 mmHg at 25°C.
Preparation: this chemical can be prepared by 1H,6H-dodecafluoro-1,6-diiodo-hexane at the temperature of 50 °C. This reaction will need reagent (NH4)2S2O8/HCO2Na·2H2O and solvent dimethylformamide with the reaction time of 12 hours. The yield is about 92%.
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Uses of Hexanedioic acid,2,2,3,3,4,4,5,5-octafluoro-e: it can be used to produce octafluoro-adipoyl chloride. It will need reagent PCl5. The yield is about 73.5%.
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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.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(=O)(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)O
(2)InChI: InChI=1S/C6H2F8O4/c7-3(8,1(15)16)5(11,12)6(13,14)4(9,10)2(17)18/h(H,15,16)(H,17,18)
(3)InChIKey: AXRSOGFYDSXLQX-UHFFFAOYSA-N