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| CAS No.: | 711-38-6 |
|---|---|
| Name: | 4'-METHOXY-2,2,2-TRIFLUOROACETOPHENONE |
| Article Data: | 69 |
| Molecular Structure: | |
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| Formula: | C9H7F3O2 |
| Molecular Weight: | 204.149 |
| Synonyms: | Acetophenone,2,2,2-trifluoro-4'-methoxy- (6CI,7CI,8CI);1-(4-Methoxyphenyl)-2,2,2-trifluoroethanone;2,2,2-Trifluoro-1-(4-methoxyphenyl)ethanone;2,2,2-Trifluoro-4'-methoxyacetophenone;4-Methoxy-a,a,a-trifluoroacetophenone;4-Methoxyphenyl trifluoromethyl ketone;4-Trifluoroacetylanisole;4'-Methoxy-2,2,2-trifluoroacetophenone;4'-Methoxy-a,a,a-trifluoroacetophenone;NSC55522;Trifluoromethyl 4-methoxyphenyl ketone;Trifluoromethyl p-methoxyphenylketone;p-Anisyl trifluoromethyl ketone;p-Methoxy-a,a,a-trifluoroacetophenone;a,a,a-Trifluoro-4-methoxyacetophenone;a,a,a-Trifluoro-p-methoxyacetophenone; |
| Density: | 1.265 g/cm3 |
| Boiling Point: | 237.3 °C at 760 mmHg |
| Flash Point: | 94.6 °C |
| Appearance: | clear light yellow liquid |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 26.30000 |
| LogP: | 2.44020 |
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Specification
The Ethanone,2,2,2-trifluoro-1-(4-methoxyphenyl)-, with the CAS registry number 711-38-6, is also known as 4'-Methoxy-2,2,2-trifluoroacetophenone. It belongs to the product category of Acetylhalide. This chemical's molecular formula is C9H7F3O2 and molecular weight is 204.15. What's more, its systematic name is 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanone. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides and fire.
Physical properties of Ethanone,2,2,2-trifluoro-1-(4-methoxyphenyl)- are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.22; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 7.4): 28.86; (6)ACD/KOC (pH 5.5): 386.28; (7)ACD/KOC (pH 7.4): 386.28; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.45; (13)Molar Refractivity: 43.41 cm3; (14)Molar Volume: 161.3 cm3; (15)Polarizability: 17.21×10-24cm3; (16)Surface Tension: 28.4 dyne/cm; (17)Density: 1.265 g/cm3; (18)Flash Point: 94.6 °C; (19)Enthalpy of Vaporization: 47.41 kJ/mol; (20)Boiling Point: 237.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0451 mmHg at 25°C.
Preparation of Ethanone,2,2,2-trifluoro-1-(4-methoxyphenyl)-: this chemical can be prepared by trifluoroacetic acid and (4-methoxy-phenyl)-magnesium bromide at the ambient temperature. This reaction will need solvent diethyl ether. The yield is about 67%.
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Uses of Ethanone,2,2,2-trifluoro-1-(4-methoxyphenyl)-: it can be used to produce 3-Bromo-4-methoxy-a,a,a-trifluoroacetophenone by heating. It will need reagents Cl2, HgO, conc. H2SO4 and solvent CCl4. It's a reaction of chlorination. The yield is about 91%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=C(C=C1)C(=O)C(F)(F)F
(2)InChI: InChI=1S/C9H7F3O2/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5H,1H3
(3)InChIKey: NCJZVRPXSSYDBG-UHFFFAOYSA-N