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| CAS No.: | 705-44-2 |
|---|---|
| Name: | 3-TRIFLUOROMETHOXYTOLUENE |
| Molecular Structure: | |
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| Formula: | C8H7F3O |
| Molecular Weight: | 176.138 |
| Synonyms: | Anisole, a,a,a-trifluoro-m-methyl- (8CI);3-Methylphenyl trifluoromethyl ether;m-(Trifluoromethoxy)toluene;m-Tolyl trifluoromethyl ether; |
| Density: | 1.205g/cm3 |
| Boiling Point: | 136.4 °C at 760 mmHg |
| Flash Point: | 42.1 °C |
| PSA: | 9.23000 |
| LogP: | 2.89360 |
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- Total:31 Page 1 of 1 1
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Specification
The Benzene,1-methyl-3-(trifluoromethoxy)-, with CAS registry number 705-44-2, has the systematic name of 1-methyl-3-(trifluoromethoxy)benzene. Besides this, it is also called 3-Methylphenyl trifluoromethyl ether. And the chemical formula of this chemical is C8H7F3O.
Physical properties of Benzene,1-methyl-3-(trifluoromethoxy)-: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 337.38; (6)ACD/BCF (pH 7.4): 337.38; (7)ACD/KOC (pH 5.5): 2245.07; (8)ACD/KOC (pH 7.4): 2245.07; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 38.21 cm3; (15)Molar Volume: 146.1 cm3; (16)Polarizability: 15.14×10-24cm3; (17)Surface Tension: 24.5 dyne/cm; (18)Density: 1.205 g/cm3; (19)Flash Point: 42.1 °C; (20)Enthalpy of Vaporization: 35.83 kJ/mol; (21)Boiling Point: 136.4 °C at 760 mmHg; (22)Vapour Pressure: 9.15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1cc(ccc1)C
(2)InChI: InChI=1/C8H7F3O/c1-6-3-2-4-7(5-6)12-8(9,10)11/h2-5H,1H3
(3)InChIKey: WRNXOOXIPSTAGJ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H7F3O/c1-6-3-2-4-7(5-6)12-8(9,10)11/h2-5H,1H3
(5)Std. InChIKey: WRNXOOXIPSTAGJ-UHFFFAOYSA-N