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7396-79-4

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Basic Information
CAS No.: 7396-79-4
Name: 2-chloro-2-5-dichloroacetophenone
Article Data: 1
Molecular Structure:
Molecular Structure of 7396-79-4 (2-chloro-2-5-dichloroacetophenone)
Formula: C8H5Cl3O
Molecular Weight: 223.486
Synonyms: 2-Chloro-2,5-dichloroacetophenone;
Density: 1.43 g/cm3
Boiling Point: 288.1 °C at 760 mmHg
Flash Point: 120.2 °C
PSA: 17.07000
LogP: 3.41490
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Specification

The 2-Chloro-1-(2, 5-dichlorophenyl)ethanone, with the CAS registry number 7396-79-4, is also known as 2-Chloro-2, 5-dichloroacetophenone. This chemical's molecular formula is C8H5Cl3O and molecular weight is 223.486. What's more, its IUPAC name is 2-Chloro-1-(2, 5-dichlorophenyl)ethanone.

Physical properties about 2-Chloro-1-(2, 5-dichlorophenyl)ethanone are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 3.04; (5)ACD/BCF (pH 5.5): 121.38; (6)ACD/BCF (pH 7.4): 121.38; (7)ACD/KOC (pH 5.5): 1080.03; (8)ACD/KOC (pH 7.4): 1080.03; (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: 1.565; (14)Molar Refractivity: 50.92 cm3; (15)Molar Volume: 156.2 cm3; (16)Polarizability: 20.18×10-24 cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.43 g/cm3; (19)Flash Point: 120.2 °C; (20)Enthalpy of Vaporization: 52.73 kJ/mol; (21)Boiling Point: 288.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00239 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(Cl)ccc1Cl)CCl
(2) InChI: InChI=1/C8H5Cl3O/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3H,4H2
(3) InChIKey: CXEVBWANBXAQSY-UHFFFAOYAB