CAS No.124004-75-7,2,2,2,2'-Tetrafluoroacetophenone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	124004-75-7
Name:	2,2,2,2'-Tetrafluoroacetophenone
Article Data:	4

Formula:	C₈H₄F₄O
Molecular Weight:	192.113
Synonyms:	2-Fluorophenyltrifluoromethyl ketone;2,2,2-trifluoro-1-(2-fluorophenyl)ethanone;Ethanone, 2,2,2-trifluoro-1-(2-fluorophenyl)-;
Density:	1.357 g/cm³
Boiling Point:	166.7 °C at 760 mmHg
Flash Point:	59.8 °C
Hazard Symbols:	C
PSA:	17.07000
LogP:	2.57070

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Specification

The Ethanone,2,2,2-trifluoro-1-(2-fluorophenyl)-, with the CAS registry number 124004-75-7, has the systematic name of 2,2,2-trifluoro-1-(2-fluorophenyl)ethanone. It belongs to the product category of Acetylhalide. And the molecular formula of the chemical is C₈H₄F₄O.

The characteristics of Ethanone,2,2,2-trifluoro-1-(2-fluorophenyl)- are as followings: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.24; (6)ACD/BCF (pH 7.4): 13.24; (7)ACD/KOC (pH 5.5): 221.12; (8)ACD/KOC (pH 7.4): 221.12; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 36.73 cm³; (15)Molar Volume: 141.5 cm³; (16)Polarizability: 14.56×10^-24cm³; (17)Surface Tension: 27.1 dyne/cm; (18)Density: 1.357 g/cm³; (19)Flash Point: 59.8 °C; (20)Enthalpy of Vaporization: 40.32 kJ/mol; (21)Boiling Point: 166.7 °C at 760 mmHg; (22)Vapour Pressure: 1.76 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccccc1F)C(F)(F)F
(2)InChI: InChI=1/C8H4F4O/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4H
(3)InChIKey: NVSKOJZXIQFFBQ-UHFFFAOYAR