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Basic Information
CAS No.: 1189359-39-4
Name: 3',5'-Difluoro-4'-(trifluoromethyl)acetophenone
Molecular Structure:
Molecular Structure of 1189359-39-4 (3',5'-Difluoro-4'-(trifluoromethyl)acetophenone)
Formula: C9H5F5O
Molecular Weight: 224.13
Synonyms: 1-[3,5-Difluoro-4-(trifluoromethyl)phenyl]ethanone;1-Acetyl-3,5-difluoro-4-(trifluoromethyl)benzene;
Density: 1.376 g/cm3
Boiling Point: 232.064 °C at 760 mmHg
Flash Point: 87.766 °C
PSA: 17.07000
LogP: 3.18620
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Specification

The 3',5'-Difluoro-4'-(trifluoromethyl)acetophenone is an organic compound with the formula C9H5F5O. The systematic name of this chemical is 1-[3,5-Difluoro-4-(trifluoromethyl)phenyl]ethanone. With the CAS registry number 1189359-39-4, it is also named as 1-Acetyl-3,5-difluoro-4-(trifluoromethyl)benzene. Besides, its molecular weight is 224.13.

The physical properties of 3',5'-Difluoro-4'-(trifluoromethyl)acetophenone are: (1)ACD/LogP: 3.49; (2)ACD/LogD (pH 5.5): 3.494; (3)ACD/LogD (pH 7.4): 3.494; (4)ACD/BCF (pH 5.5): 266.186; (5)ACD/BCF (pH 7.4): 266.186; (6)ACD/KOC (pH 5.5): 1894.756; (7)ACD/KOC (pH 7.4): 1894.756; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.42; (12)Molar Refractivity: 41.248 cm3; (13)Molar Volume: 162.894 cm3; (14)Polarizability: 16.352×10-24 cm3; (15)Surface Tension: 24.91 dyne/cm; (16)Density: 1.376 g/cm3; (17)Flash Point: 87.766 °C; (18)Enthalpy of Vaporization: 46.874 kJ/mol; (19)Boiling Point: 232.064 °C at 760 mmHg; (20)Vapour Pressure: 0.06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1cc(c(c(c1)F)C(F)(F)F)F
(2)InChI: InChI=1/C9H5F5O/c1-4(15)5-2-6(10)8(7(11)3-5)9(12,13)14/h2-3H,1H3
(3)InChIKey: RALJIWTUZNHFGT-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H5F5O/c1-4(15)5-2-6(10)8(7(11)3-5)9(12,13)14/h2-3H,1H3
(5)Std. InChIKey: RALJIWTUZNHFGT-UHFFFAOYSA-N