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4-(Trifluoromethyl)benzophenone

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Name

4-(Trifluoromethyl)benzophenone

EINECS 211-974-3
CAS No. 728-86-9 Density 1.244 g/cm3
PSA 17.07000 LogP 3.93640
Solubility N/A Melting Point 114-116 °C(lit.)
Formula C14H9F3O Boiling Point 309.2 °C at 760 mmHg
Molecular Weight 250.22 Flash Point 153 °C
Transport Information N/A Appearance off-white to beige crystalline solid
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 728-86-9 (4-(Trifluoromethyl)benzophenone) Hazard Symbols IrritantXi
Synonyms

Benzophenone,4-(trifluoromethyl)- (7CI,8CI);(4-Trifluoromethylphenyl) phenyl ketone;4-(Trifluoromethyl)benzophenone;4'-Trifluoromethylbenzophenone;NSC 88328;Phenyl[4-(trifluoromethyl)phenyl]methanone;p-(Trifluoromethyl)benzophenone;4-(Trifluoromethyl)benzophenone;FXFFR DVR;Methanone, phenyl[4-(trifluoromethyl)phenyl]-;Phenyl[4-(trifluoromethyl)phenyl]methanone;p-Trifluoromethylbenzophenone;

Article Data 197

4-(Trifluoromethyl)benzophenone Specification

The 4-(Trifluoromethyl)benzophenone, with the CAS registry number 728-86-9 and EINECS registry number 211-974-3, has the systematic name and IUPAC name of phenyl-[4-(trifluoromethyl)phenyl]methanone. It is a kind of off-white to beige crystalline solid, and the molecular formula of the chemical is C14H9F3O.

The characteristics of 4-(Trifluoromethyl)benzophenone are as followings: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 839.04; (6)ACD/BCF (pH 7.4): 839.04; (7)ACD/KOC (pH 5.5): 4309.67; (8)ACD/KOC (pH 7.4): 4309.67; (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 °C; (20)Enthalpy of Vaporization: 54.99 kJ/mol; (21)Boiling Point: 309.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00065 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, 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)c2ccc(C(=O)c1ccccc1)cc2
(2)InChI: InChI=1/C14H9F3O/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9H
(3)InChIKey: OHTYZZYAMUVKQS-UHFFFAOYAY

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