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1-Propanone,1-[3,5-bis(trifluoromethyl)phenyl]-

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Name

1-Propanone,1-[3,5-bis(trifluoromethyl)phenyl]-

EINECS 285-296-1
CAS No. 85068-34-4 Density 1.321 g/cm3
PSA 17.07000 LogP 4.31690
Solubility N/A Melting Point N/A
Formula C11H8F6O Boiling Point 185.2 °C at 760 mmHg
Molecular Weight 270.174 Flash Point 76.1 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 85068-34-4 (3',5'-BIS(TRIFLUOROMETHYL)PROPIOPHENONE) Hazard Symbols IrritantXi
Synonyms

3',5'-Bistrifluoromethylpropiophenone;1-[3,5-bis(trifluoromethyl)phenyl]propan-1-one;1-Propanone, 1-[3,5-bis(trifluoromethyl)phenyl]-;FXFFR CV2 EXFFF;

Article Data 1

1-Propanone,1-[3,5-bis(trifluoromethyl)phenyl]- Specification

The 1-Propanone,1-[3,5-bis(trifluoromethyl)phenyl]-, with the CAS registry number 85068-34-4 and EINECS registry number 285-296-1, has the systematic name of 1-[3,5-bis(trifluoromethyl)phenyl]propan-1-one. And the molecular formula of the chemical is C11H8F6O.

The characteristics of 1-Propanone,1-[3,5-bis(trifluoromethyl)phenyl]- are as followings: (1)ACD/LogP: 4.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.59; (4)ACD/LogD (pH 7.4): 4.59; (5)ACD/BCF (pH 5.5): 1805.79; (6)ACD/BCF (pH 7.4): 1805.79; (7)ACD/KOC (pH 5.5): 7459.68; (8)ACD/KOC (pH 7.4): 7459.68; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.411; (14)Molar Refractivity: 50.87 cm3; (15)Molar Volume: 204.4 cm3; (16)Polarizability: 20.16×10-24cm3; (17)Surface Tension: 22.7 dyne/cm; (18)Density: 1.321 g/cm3; (19)Flash Point: 76.1 °C; (20)Enthalpy of Vaporization: 42.14 kJ/mol; (21)Boiling Point: 185.2 °C at 760 mmHg; (22)Vapour Pressure: 0.705 mmHg at 25°C. 

Uses of 1-Propanone,1-[3,5-bis(trifluoromethyl)phenyl]-: It can react with 1,3,5,7-tetraaza-adamantane to produce 1-(3,5-bis-trifluoromethyl-phenyl)-2-methyl-propenone. This reaction will need reagent acetic anhydride. The reaction time is 4 hours with temperature of 80°C, and the yield is about 80%.   

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)CC
(2)InChI: InChI=1/C11H8F6O/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5H,2H2,1H3
(3)InChIKey: VLRWCHKOSBUGMB-UHFFFAOYAL

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