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42981-08-8

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Basic Information
CAS No.: 42981-08-8
Name: 2,3',4'-TRICHLOROACETOPHENONE
Article Data: 7
Molecular Structure:
Molecular Structure of 42981-08-8 (2,3',4'-TRICHLOROACETOPHENONE)
Formula: C8H5Cl3O
Molecular Weight: 223.486
Synonyms: Acetophenone,2,3',4'-trichloro- (6CI);2,3',4'-Trichloroacetophenone;2-Chloro-1-(3,4-dichlorophenyl)ethanone;2-Chloro-3',4'-dichloroacetophenone;NSC 243689;
Density: 1.43 g/cm3
Melting Point: 46-47 °C
Boiling Point: 335.4 °C at 760 mmHg
Flash Point: 141.5 °C
Risk Codes: 34
Safety: 36/37/39
PSA: 17.07000
LogP: 3.41490
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Specification

The Ethanone,2-chloro-1-(3,4-dichlorophenyl)-, with the CAS registry number 42981-08-8, is also known as ZINC01764677. This chemical's molecular formula is C8H5Cl3O and molecular weight is 221.940598. Its IUPAC name is called 2-chloro-1-(3,4-dichlorophenyl)ethanone. When you are using this chemical, please be cautious about it. It may cause burns. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

Physical properties of Ethanone,2-chloro-1-(3,4-dichlorophenyl)-: (1)ACD/LogP: 3.25; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.565; (5)Molar Refractivity: 50.92 cm3; (6)Molar Volume: 156.2 cm3; (7)Surface Tension: 44 dyne/cm; (8)Density: 1.43 g/cm3; (9)Flash Point: 141.5 °C; (10)Enthalpy of Vaporization: 57.85 kJ/mol; (11)Boiling Point: 335.4 °C at 760 mmHg; (12)Vapour Pressure: 0.00012 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C(=O)CCl)Cl)Cl
(2)InChI: InChI=1S/C8H5Cl3O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2
(3)InChIKey: BYTZWANJVUAPNO-UHFFFAOYSA-N