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| CAS No.: | 349-82-6 |
|---|---|
| Name: | (3-TRIFLUOROMETHYL-PHENOXY)-ACETIC ACID |
| Molecular Structure: | |
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|
|
| Formula: | C9H7F3O3 |
| Molecular Weight: | 220.148 |
| Synonyms: | Aceticacid, [(a,a,a-trifluoro-m-tolyl)oxy]- (6CI,7CI,8CI);Acetic acid,[3-(trifluoromethyl)phenoxy]- (9CI);2-(3-Fluoromethylphenoxy)acetic acid;3-(Trifluoromethyl)phenoxyacetic acid;[(3-Trifluoromethylphenyl)oxy]aceticacid;m-(Trifluoromethyl)phenoxyacetic acid; |
| Density: | 1.392 g/cm3 |
| Melting Point: | 93.5-94 °C |
| Boiling Point: | 282.9 °C at 760 mmHg |
| Flash Point: | 124.9 °C |
| Hazard Symbols: |
 C,  Xi
|
| PSA: | 46.53000 |
| LogP: | 2.16880 |
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Specification
The Acetic acid, 2-[3-(trifluoromethyl)phenoxy]-, with the CAS registry number of 349-82-6, is also known as (3-Trifluoromethyl-phenoxy)-acetic acid. This chemical's molecular formula is C9H7F3O3 and molecular weight is 220.15. What's more, its IUPAC name is 2-[3-(Trifluoromethyl)phenoxy]acetic acid.
Physical properties about Acetic acid, 2-[3-(trifluoromethyl)phenoxy]- are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.88; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.47; (12)Molar Refractivity: 44.1 cm3; (13)Molar Volume: 158 cm3; (14)Polarizability: 17.48×10-24 cm3; (15)Surface Tension: 34.3 dyne/cm; (16)Density: 1.392 g/cm3; (17)Flash Point: 124.9 °C; (18)Enthalpy of Vaporization: 55.11 kJ/mol; (19)Boiling Point: 282.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00154 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cc(OCC(=O)O)ccc1
(2) InChI: InChI=1/C9H7F3O3/c10-9(11,12)6-2-1-3-7(4-6)15-5-8(13)14/h1-4H,5H2,(H,13,14)
(3) InChIKey: KTTDWGZRVMNQNZ-UHFFFAOYAQ