4-(Trifluoromethyl)benzophenone supplier

Name
4-(Trifluoromethyl)benzophenone
EINECS 211-974-3
CAS No. 728-86-9
Article Data197
CAS DataBase
Density 1.244 g/cm³
Solubility
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
Appearance off-white to beige crystalline solid
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 17.07000
LogP 3.93640

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

Product Name

4-(Trifluoromethyl)benzophenone

4-(Trifluoromethyl)benzophenone Specification

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