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3',5'-Dichloro-2,2,2-trifluoroacetophenone

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Name

3',5'-Dichloro-2,2,2-trifluoroacetophenone

EINECS N/A
CAS No. 130336-16-2 Density 1.506 g/cm3
PSA 17.07000 LogP 3.73840
Solubility N/A Melting Point N/A
Formula C8H3Cl2F3O Boiling Point 265 °C at 760 mmHg
Molecular Weight 243.012 Flash Point 114 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 130336-16-2 (3',5'-Dichloro-2,2,2-trifluoroacetophenone) Hazard Symbols N/A
Synonyms

1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethanone;Ethanone, 1-(3,5-dichlorophenyl)-2,2,2-trifluoro-;

Article Data 13

3',5'-Dichloro-2,2,2-trifluoroacetophenone Specification

The 3',5'-Dichloro-2,2,2-trifluoroacetophenone is an organic compound with the formula C8H3Cl2F3O. The IUPAC name of this chemical is 1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethanone. With the CAS registry number 130336-16-2, it is also named as Ethanone, 1-(3,5-dichlorophenyl)-2,2,2-trifluoro-. Besides, its molecular weight is 243.01.

The physical properties of 3',5'-Dichloro-2,2,2-trifluoroacetophenone are: (1)ACD/LogP: 3.85; (2)ACD/LogD (pH 5.5): 3.85; (3)ACD/LogD (pH 7.4): 3.85; (4)ACD/BCF (pH 5.5): 497.94; (5)ACD/BCF (pH 7.4): 497.94; (6)ACD/KOC (pH 5.5): 2966.48; (7)ACD/KOC (pH 7.4): 2966.48; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.488; (12)Molar Refractivity: 46.52 cm3; (13)Molar Volume: 161.2 cm3; (14)Polarizability: 18.44×10-24 cm3; (15)Surface Tension: 33.4 dyne/cm; (16)Density: 1.506 g/cm3; (17)Flash Point: 114 °C; (18)Enthalpy of Vaporization: 50.29 kJ/mol; (19)Boiling Point: 265 °C at 760 mmHg; (20)Vapour Pressure: 0.00942 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(C(=O)C(F)(F)F)cc(Cl)c1
(2)InChI: InChI=1/C8H3Cl2F3O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3H
(3)InChIKey: DZDSQRPDUCSOQV-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H3Cl2F3O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3H
(5)Std. InChIKey: DZDSQRPDUCSOQV-UHFFFAOYSA-N

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