Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

3-(Trifluoromethyl)benzophenone

Related Products

Hot Products

Name

3-(Trifluoromethyl)benzophenone

EINECS 211-973-8
CAS No. 728-81-4 Density 1.244 g/cm3
PSA 17.07000 LogP 3.93640
Solubility N/A Melting Point 52-53 °C(lit.)
Formula C14H9F3O Boiling Point 302.7 °C at 760 mmHg
Molecular Weight 250.22 Flash Point 153.8 °C
Transport Information N/A Appearance white powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 728-81-4 (3-(Trifluoromethyl)benzophenone) Hazard Symbols IrritantXi
Synonyms

Benzophenone,3-(trifluoromethyl)- (7CI,8CI);3-(Trifluoromethyl)benzophenone;m-(Trifluoromethyl)benzophenone;

Article Data 50

3-(Trifluoromethyl)benzophenone Specification

The 3-(Trifluoromethyl)benzophenone, with the CAS registry number 728-81-4 and EINECS registry number 211-973-8, has the systematic name and IUPAC name of phenyl[3-(trifluoromethyl)phenyl]methanone. It is a kind of white powder, and the molecular formula of the chemical is C14H9F3O.

The characteristics of 3-(Trifluoromethyl)benzophenone are as followings: (1)ACD/LogP: 4.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.24; (4)ACD/LogD (pH 7.4): 4.24; (5)ACD/BCF (pH 5.5): 975.31; (6)ACD/BCF (pH 7.4): 975.31; (7)ACD/KOC (pH 5.5): 4799.86; (8)ACD/KOC (pH 7.4): 4799.86; (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: 1.519; (14)Molar Refractivity: 61.02 cm3; (15)Molar Volume: 201 cm3; (16)Polarizability: 24.19×10-24cm3; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 1.244 g/cm3; (19)Flash Point: 153.8 °C; (20)Enthalpy of Vaporization: 54.29 kJ/mol; (21)Boiling Point: 302.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000973 mmHg at 25°C. 

Preparation of 3-(Trifluoromethyl)benzophenone: This chemical can be prepared by benzoic acid methyl ester and trifluoromethyl-benzene. The reaction will need reagenttrifluoromethanesulfonic acid. The reaction time is 2 hours with temperature of 85°C, and the yield is about 84%. 

Uses of 3-(Trifluoromethyl)benzophenone: It can react with tetraallyl stannane to produce 1-phenyl-1-(3-trifluoromethyl-phenyl)-but-3-en-1-ol. This reaction will need reagent Cu(OTf)2, and the menstruum CH2Cl2. The reaction time is 12 hours with temperature of 20°C, and the yield is about 91%.   

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 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)c2cccc(C(=O)c1ccccc1)c2
(2)InChI: InChI=1/C14H9F3O/c15-14(16,17)12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9H
(3)InChIKey: IOXDAYKKVHAKSX-UHFFFAOYAE

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 728-81-4