CAS No.727-99-1,2-(TRIFLUOROMETHYL)BENZOPHENONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	727-99-1
Name:	2-(TRIFLUOROMETHYL)BENZOPHENONE
Article Data:	24

Formula:	C₁₄H₉F₃O
Molecular Weight:	250.22
Synonyms:	Benzophenone,2-(trifluoromethyl)- (7CI,8CI);2-(Trifluoromethyl)benzophenone;
EINECS:	211-972-2
Density:	1.244 g/cm³
Melting Point:	60-62 °C
Boiling Point:	335 °C at 760 mmHg
Flash Point:	161.9 °C
Appearance:	yellow crystal powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26-36
PSA:	17.07000
LogP:	3.93640

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Specification

This chemical is called Methanone, phenyl[2-(trifluoromethyl)phenyl]-, and its systematic name is phenyl[2-(trifluoromethyl)phenyl]methanone. With the molecular formula of C₁₄H₉F₃O, its molecular weight is 250.22. The CAS registry number of this chemical is 727-99-1. Additionally, its product categories are Benzene series; C13 to C14; Carbonyl Compounds; Ketones. It should be stored at the temperature of -20 °C.

Other characteristics of the Methanone, phenyl[2-(trifluoromethyl)phenyl]- can be summarised 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): 841.98; (6)ACD/BCF (pH 7.4): 841.98; (7)ACD/KOC (pH 5.5): 4320.48; (8)ACD/KOC (pH 7.4): 4320.48; (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: 161.9 °C; (20)Enthalpy of Vaporization: 57.8 kJ/mol; (21)Boiling Point: 335 °C at 760 mmHg; (22)Vapour Pressure: 0.000124 mmHg at 25°C.

Production method of this chemical: The Methanone, phenyl[2-(trifluoromethyl)phenyl]- could be obtained by the reactant of phenyl-(2-trifluoromethyl-phenyl)-methanol. This reaction needs the reagent of CrO₃, H₂SO₄. The yield is 92 %. In addition, this reaction should be taken at the temperature of 0 °C.

Uses of this chemical: The [phenyl-(2-trifluoromethyl-phenyl)-methylene]-hydrazine could be obtained by the reactant of Methanone, phenyl[2-(trifluoromethyl)phenyl]-. This reaction needs the reagent of hydrazine, and the solvent of ethanol. The yield is 75 %. The other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c2ccccc2C(=O)c1ccccc1
2.InChI: InChI=1/C14H9F3O/c15-14(16,17)12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10/h1-9H
3.InChIKey: JXIWJBWMQXDALU-UHFFFAOYAU