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| CAS No.: | 357-98-2 |
|---|---|
| Name: | 1,1,2,3,3,3-HEXAFLUOROPROPOXYBENZENE |
| Molecular Structure: | |
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| Formula: | C9H6F6O |
| Molecular Weight: | 244.13 |
| Synonyms: | Ether,1,1,2,3,3,3-hexafluoropropyl phenyl (8CI);(1,1,2,3,3,3-Hexafluoropropoxy)benzene;1,1,2,3,3,3-Hexafluoropropyl phenyl ether;Hexafluoropropoxybenzene; |
| Density: | 1.359 g/cm3 |
| Boiling Point: | 158.8 °C at 760 mmHg |
| Flash Point: | 55.9 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 9.23000 |
| LogP: | 3.55860 |
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Specification
The Benzene,(1,1,2,3,3,3-hexafluoropropoxy)-, with the CAS registry number 357-98-2, is also known as 1,1,2,3,3,3-Hexafluoropropyl phenyl ether. This chemical's molecular formula is C9H6F6O and molecular weight is 244.13. What's more, its systematic name is (1,1,2,3,3,3-hexafluoropropoxy)benzene.
Physical properties of Benzene,(1,1,2,3,3,3-hexafluoropropoxy)- are: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.12; (4)ACD/LogD (pH 7.4): 4.12; (5)ACD/BCF (pH 5.5): 799.69; (6)ACD/BCF (pH 7.4): 799.69; (7)ACD/KOC (pH 5.5): 4164.03; (8)ACD/KOC (pH 7.4): 4164.03; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.395; (14)Molar Refractivity: 43.06 cm3; (15)Molar Volume: 179.6 cm3; (16)Polarizability: 17.07×10-24cm3; (17)Surface Tension: 21.8 dyne/cm; (18)Density: 1.359 g/cm3; (19)Flash Point: 55.9 °C; (20)Enthalpy of Vaporization: 37.92 kJ/mol; (21)Boiling Point: 158.8 °C at 760 mmHg; (22)Vapour Pressure: 3.34 mmHg at 25°C.
Preparation of Benzene,(1,1,2,3,3,3-hexafluoropropoxy)-: this chemical can be prepared by 1,2-dibromo-1,1,2,3,3,3-hexafluoro-propane and phenol; potassium salt at the ambient temperature. This reaction will need solvent dimethylformamide with the reaction time of 8 hours. The yield is about 80%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. 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)SMILES: FC(F)(Oc1ccccc1)C(F)C(F)(F)F
(2)InChI: InChI=1S/C9H6F6O/c10-7(8(11,12)13)9(14,15)16-6-4-2-1-3-5-6/h1-5,7H
(3)InChIKey: UOIMAHYTZWHKGZ-UHFFFAOYSA-N