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Benzene,(1,1,2,3,3,3-hexafluoropropoxy)-

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Name

Benzene,(1,1,2,3,3,3-hexafluoropropoxy)-

EINECS N/A
CAS No. 357-98-2 Density 1.359 g/cm3
PSA 9.23000 LogP 3.55860
Solubility N/A Melting Point N/A
Formula C9H6F6O Boiling Point 158.8 °C at 760 mmHg
Molecular Weight 244.13 Flash Point 55.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 357-98-2 (1,1,2,3,3,3-HEXAFLUOROPROPOXYBENZENE) Hazard Symbols IrritantXi
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;

Article Data 3

Benzene,(1,1,2,3,3,3-hexafluoropropoxy)- 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%.

Benzene,(1,1,2,3,3,3-hexafluoropropoxy)- can be prepared by 1,2-dibromo-1,1,2,3,3,3-hexafluoro-propane and phenol; potassium salt at the ambient temperature

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

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