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| CAS No.: | 721-63-1 |
|---|---|
| Name: | ETHYL 4-(TRIFLUOROMETHYL)PHENYL ACETATE |
| Molecular Structure: | |
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|
| Formula: | C11H11F3O2 |
| Molecular Weight: | 232.202 |
| Synonyms: | Aceticacid, (a,a,a-trifluoro-p-tolyl)-, ethyl ester (7CI,8CI);Ethyl[4-(trifluoromethyl)phenyl]acetate; |
| Density: | 1.208 g/cm3 |
| Melting Point: | 34-35 °C |
| Boiling Point: | 239.567 °C at 760 mmHg |
| Flash Point: | 73.897 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 26.30000 |
| LogP: | 2.81100 |
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Specification
This chemical is called Ethyl [4-(trifluoromethyl)phenyl]acetate, and it can also be named as Benzeneacetic acid, 4-(trifluoromethyl)-, ethyl ester. With the molecular formula of C11H11F3O2, its molecular weight is 232.20. The CAS registry number of this chemical is 721-63-1.
Other characteristics of the Ethyl [4-(trifluoromethyl)phenyl]acetate can be summarised as followings: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 127; (6)ACD/BCF (pH 7.4): 127; (7)ACD/KOC (pH 5.5): 1113; (8)ACD/KOC (pH 7.4): 1113; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 51.823 cm3; (15)Molar Volume: 192.257 cm3; (16)Polarizability: 20.544×10-24cm3; (17)Surface Tension: 28.8 dyne/cm; (18)Density: 1.208 g/cm3; (19)Flash Point: 73.897 °C; (20)Enthalpy of Vaporization: 47.646 kJ/mol; (21)Boiling Point: 239.567 °C at 760 mmHg; (22)Vapour Pressure: 0.04 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1ccc(CC(=O)OCC)cc1
2.InChI: InChI=1/C11H11F3O2/c1-2-16-10(15)7-8-3-5-9(6-4-8)11(12,13)14/h3-6H,2,7H2,1H3
3.InChIKey: BDVKGYOFECBKDX-UHFFFAOYAC