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3'-Fluoro-4'-(trifluoromethyl)acetophenone

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Name

3'-Fluoro-4'-(trifluoromethyl)acetophenone

EINECS N/A
CAS No. 237761-81-8 Density 1.299 g/cm3
PSA 17.07000 LogP 3.04710
Solubility N/A Melting Point N/A
Formula C9H6F4O Boiling Point 225.6 °C at 760 mmHg
Molecular Weight 206.14 Flash Point 85.1 °C
Transport Information N/A Appearance liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 237761-81-8 (3'-Fluoro-4'-(trifluoromethyl)acetophenone) Hazard Symbols IrritantXi
Synonyms

1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethanone;3-Fluoro-4-trifluoromethylacetophenone;3'-Fluoro-4'-(trifluoromethyl)acetophenone;

Article Data 2

3'-Fluoro-4'-(trifluoromethyl)acetophenone Specification

The 3'-Fluoro-4'-(trifluoromethyl)acetophenone, with the CAS registry number 237761-81-8, is also known as 3-Fluoro-4-trifluoromethylacetophenone. This chemical's molecular formula is C9H6F4O and molecular weight is 206.14. What's more, its systematic name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides.

Physical properties of 3'-Fluoro-4'-(trifluoromethyl)acetophenone are: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 2.76; (5)ACD/BCF (pH 5.5): 73.65; (6)ACD/BCF (pH 7.4): 73.65; (7)ACD/KOC (pH 5.5): 755.33; (8)ACD/KOC (pH 7.4): 755.33; (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: 1.433; (14)Molar Refractivity: 41.25 cm3; (15)Molar Volume: 158.6 cm3; (16)Polarizability: 16.35×10-24cm3; (17)Surface Tension: 25.5 dyne/cm; (18)Density: 1.299 g/cm3; (19)Flash Point: 85.1 °C; (20)Enthalpy of Vaporization: 46.21 kJ/mol; (21)Boiling Point: 225.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0857 mmHg at 25°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.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1=CC(=C(C=C1)C(F)(F)F)F
(2)InChI: InChI=1S/C9H6F4O/c1-5(14)6-2-3-7(8(10)4-6)9(11,12)13/h2-4H,1H3
(3)InChIKey: NXQBONPKAOTSNA-UHFFFAOYSA-N

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