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| CAS No.: | 577-62-8 |
|---|---|
| Name: | ETHYL 2-(TRIFLUOROMETHYL)BENZOATE |
| Molecular Structure: | |
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| Formula: | C10H9F3O2 |
| Molecular Weight: | 218.175 |
| Synonyms: | Ethyl α,α,α-o-toluate;2-(Trifluoromethyl)benzoic acid ethyl ester;Ethyl 2-(trifluoromethyl)benzoate; |
| Density: | 1.23 g/cm3 |
| Boiling Point: | 238 °C at 760 mmHg |
| Flash Point: | 83.2 °C |
| Hazard Symbols: |
 F
|
| PSA: | 26.30000 |
| LogP: | 2.88210 |
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Specification
The CAS register number of Benzoic acid,2-(trifluoromethyl)-, ethyl ester is 577-62-8. It also can be called as 2-(Trifluoromethyl)benzoic acid ethyl ester and the systematic name about this chemical is ethyl 2-(trifluoromethyl)benzoate. The molecular formula about this chemical is C10H9F3O2 and the molecular weight is 218.17.
Physical properties about Benzoic acid,2-(trifluoromethyl)-, ethyl ester are: (1)ACD/LogP: 3.70; (2)ACD/LogD (pH 5.5): 3.7; (3)ACD/LogD (pH 7.4): 3.7; (4)ACD/BCF (pH 5.5): 381.29; (5)ACD/BCF (pH 7.4): 381.29; (6)ACD/KOC (pH 5.5): 2450.55; (7)ACD/KOC (pH 7.4): 2450.55; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.449; (12)Molar Refractivity: 47.63 cm3; (13)Molar Volume: 177.3 cm3; (14)Polarizability: 18.88x10-24cm3; (15)Surface Tension: 28.3 dyne/cm; (16)Flash Point: 83.2 °C; (17)Enthalpy of Vaporization: 47.49 kJ/mol; (18)Boiling Point: 238 °C at 760 mmHg; (19)Vapour Pressure: 0.0434 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccccc1C(=O)OCC
(2)InChI: InChI=1/C10H9F3O2/c1-2-15-9(14)7-5-3-4-6-8(7)10(11,12)13/h3-6H,2H2,1H3
(3)InChIKey: BQLMZZVRHPZRBQ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H9F3O2/c1-2-15-9(14)7-5-3-4-6-8(7)10(11,12)13/h3-6H,2H2,1H3
(5)Std. InChIKey: BQLMZZVRHPZRBQ-UHFFFAOYSA-N