CAS No.130336-16-2,3',5'-Dichloro-2,2,2-trifluoroacetophenone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	130336-16-2
Name:	3',5'-Dichloro-2,2,2-trifluoroacetophenone
Article Data:	13

Formula:	C₈H₃Cl₂F₃O
Molecular Weight:	243.012
Synonyms:	1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethanone;Ethanone, 1-(3,5-dichlorophenyl)-2,2,2-trifluoro-;
Density:	1.506 g/cm³
Boiling Point:	265 °C at 760 mmHg
Flash Point:	114 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	17.07000
LogP:	3.73840

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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