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EINECS 217-086-2
CAS No. 1737-11-7 Density 1.236 g/cm3
PSA 9.23000 LogP 3.23170
Solubility N/A Melting Point 163-165 °C
Formula C9H8F4O Boiling Point 182.51 °C at 760 mmHg
Molecular Weight 208.156 Flash Point 63.019 °C
Transport Information N/A Appearance Clear Liquid
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 1737-11-7 (4-(1,1,2,2-Tetrafluoroethoxy)toluene) Hazard Symbols ToxicT

Phenetole, a,a,b,b-tetrafluoro-p-methyl- (7CI,8CI);4-(1,1,2,2-Tetrafluoroethoxy)toluene;

Article Data 9

4-(1,1,2,2-Tetrafluoroethoxy)toluene Specification

The 4-(1,1,2,2-Tetrafluoroethoxy)toluene, with CAS registry number 1737-11-7, has the systematic name of 1-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene. And its IUPAC name is the same one. Besides this, it is also called Benzene, 1-methyl-4-(1,1,2,2-tetrafluoroethoxy)-.

Physical properties about this chemical are: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 502.11; (6)ACD/BCF (pH 7.4): 502.11; (7)ACD/KOC (pH 5.5): 2984.24; (8)ACD/KOC (pH 7.4): 2984.24; (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: 1.423; (14)Molar Refractivity: 42.96 cm3; (15)Molar Volume: 168.4 cm3; (16)Polarizability: 17.03×10-24cm3; (17)Surface Tension: 23.7 dyne/cm; (18)Enthalpy of Vaporization: 40.16 kJ/mol; (19)Vapour Pressure: 1.1 mmHg at 25°C.

Uses of 4-(1,1,2,2-Tetrafluoroethoxy)toluene: it can be used to produce a,a,b,b-tetrafluoro-p-methylphenetole. This reaction will need reagent KF and solvent dimethylsulfoxide. The reaction time is 5 hour(s) with reaction temperature of 120 - 130 ℃. The yield is about 50%.

When you are using this chemical, please be cautious about it as the following:
The 4-(1,1,2,2-Tetrafluoroethoxy)toluene irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides this, this chemical is harmful by inhalation, in contact with skin and if swallowed.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(Oc1ccc(cc1)C)C(F)F
(2)InChI: InChI=1/C9H8F4O/c1-6-2-4-7(5-3-6)14-9(12,13)8(10)11/h2-5,8H,1H3
(4)Std. InChI: InChI=1S/C9H8F4O/c1-6-2-4-7(5-3-6)14-9(12,13)8(10)11/h2-5,8H,1H3

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