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Ethanone,2,2,2-trifluoro-1-(3-methylphenyl)-

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Name

Ethanone,2,2,2-trifluoro-1-(3-methylphenyl)-

EINECS N/A
CAS No. 1736-06-7 Density 1.224 g/cm3
PSA 17.07000 LogP 2.74000
Solubility N/A Melting Point N/A
Formula C9H7F3O Boiling Point 194.8 °C at 760 mmHg
Molecular Weight 188.149 Flash Point 78.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1736-06-7 (3'-METHYL-2,2,2-TRIFLUOROACETOPHENONE) Hazard Symbols N/A
Synonyms

a,a,a-Trifluoro-m-methylacetophenone;Acetophenone,2,2,2-trifluoro-3'-methyl- (7CI,8CI);1-(3-Methylphenyl)-2,2,2-trifluoroethanone;2,2,2-Trifluoro-3'-methylacetophenone;m-Methyl-a,a,a-trifluoroacetophenone;2,2,2-Trifluoro-1-m-tolyl-ethanone;3'-Methyl-2,2,2-trifluoroacetophenone;

Article Data 10

Ethanone,2,2,2-trifluoro-1-(3-methylphenyl)- Specification

The Ethanone,2,2,2-trifluoro-1-(3-methylphenyl)-, with the CAS registry number 1736-06-7, is also known as 3'-Methyl-2,2,2-trifluoroacetophenone. This chemical's molecular formula is C9H7F3O and molecular weight is 188.15. What's more, its systematic name is 2,2,2-trifluoro-1-(3-methylphenyl)ethanone.

Physical properties of Ethanone,2,2,2-trifluoro-1-(3-methylphenyl)- are: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 56.61; (6)ACD/BCF (pH 7.4): 56.61; (7)ACD/KOC (pH 5.5): 625.68; (8)ACD/KOC (pH 7.4): 625.68; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 41.56 cm3; (15)Molar Volume: 153.6 cm3; (16)Polarizability: 16.47×10-24cm3; (17)Surface Tension: 28.1 dyne/cm; (18)Density: 1.224 g/cm3; (19)Flash Point: 78.2 °C; (20)Enthalpy of Vaporization: 43.1 kJ/mol; (21)Boiling Point: 194.8 °C at 760 mmHg; (22)Vapour Pressure: 0.433 mmHg at 25°C.

Preparation of Ethanone,2,2,2-trifluoro-1-(3-methylphenyl)-: this chemical can be prepared by trifluoroacetic acid and 1-bromo-3-methyl-benzene by heating. This reaction will need reagent Mg and solvent diethyl ether with the reaction time of 2 hours. The yield is about 77%.

Ethanone,2,2,2-trifluoro-1-(3-methylphenyl)- can be prepared by trifluoroacetic acid and 1-bromo-3-methyl-benzene by heating

Uses of Ethanone,2,2,2-trifluoro-1-(3-methylphenyl)-: it can be used to produce m-methyl-a-trifluoromethylbenzyl alcohol at the temperature of 20 °C. It will need reagent NaBH4 and solvents methanol, H2O with the reaction time of 5 hours. The yield is about 94%.

Ethanone,2,2,2-trifluoro-1-(3-methylphenyl)- can be used to produce m-methyl-a-trifluoromethylbenzyl alcohol at the temperature of 20 °C

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: CC1=CC=CC(=C1)C(=O)C(F)(F)F
(2)InChI: InChI=1S/C9H7F3O/c1-6-3-2-4-7(5-6)8(13)9(10,11)12/h2-5H,1H3
(3)InChIKey: NOHRMVQCINHTNH-UHFFFAOYSA-N

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