Benzene,1-methyl-3-(1,1,2,2-tetrafluoroethoxy)- (1737-10-6)

The IUPAC name of 3-(1,1,2,2-Tetrafluoroethoxy)toluene is 1-methyl-3-(1,1,2,2-tetrafluoroethoxy)benzene. With the CAS registry number 1737-10-6, it is also named as 1,1,2,2-Tetrafluoroethyl 3-methylphenyl ether. The product's EINECS is 217-085-7. Its molecular formula is C₉H₈F₄O and its molecular weight is 208.15. 

The other characteristics of 3-(1,1,2,2-Tetrafluoroethoxy)toluene can be summarized as: (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)Index of Refraction: 1.423 ; (13)Molar Refractivity: 42.96 cm³ ; (14)Molar Volume: 168.4 cm³; (15)Surface Tension: 23.7 dyne/cm ; (16)Density: 1.235 g/cm³ ; (17)Flash Point: 61.7 °C ; (18)Enthalpy of Vaporization: 39.5 kJ/mol ; (19)Boiling Point: 175.6 °C at 760 mmHg ; (20)Vapour Pressure: 1.53 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 3-(1,1,2,2-Tetrafluoroethoxy)toluene is harmful by inhalation, in contact with skin and if swallowed, so do not breathe vapour. In addition, this chemical irritate to eyes, respiratory system and skin, when use it, please wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:FC(F)(Oc1cc(ccc1)C)C(F)F;
(2)InChI:InChI=1/C9H8F4O/c1-6-3-2-4-7(5-6)14-9(12,13)8(10)11/h2-5,8H,1H3;
(3)InChIKey:LZZXOCVBAKJDOO-UHFFFAOYAL;
(4)Std. InChI:InChI=1S/C9H8F4O/c1-6-3-2-4-7(5-6)14-9(12,13)8(10)11/h2-5,8H,1H3;
(5)Std. InChIKey:LZZXOCVBAKJDOO-UHFFFAOYSA-N.