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4571-25-9

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Basic Information
CAS No.: 4571-25-9
Name: 2-Bromo-1-(2,5-dichlorophenyl)ethanone
Article Data: 19
Molecular Structure:
Molecular Structure of 4571-25-9 (2-Bromo-1-(2,5-dichlorophenyl)ethanone)
Formula: C8H5BrCl2O
Molecular Weight: 267.937
Synonyms: Acetophenone,2-bromo-2',5'-dichloro- (7CI,8CI);2,5-Dichlorophenacyl bromide;2-Bromo-1-(2,5-dichlorophenyl)ethanone;2-Bromo-2',5'-dichloroacetophenone;a-Bromo-2',5'-dichloroacetophenone;
Density: 1.695 g/cm3
Melting Point: 33-35 °C
Boiling Point: 292.7 °C at 760 mmHg
Flash Point: 130.8 °C
Risk Codes: 36
Safety: 26
PSA: 17.07000
LogP: 3.57100
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Specification

The 2-Bromo-1-(2,5-dichlorophenyl)ethanone, with the CAS registry number 4571-25-9, is also known as 2-Bromo-2',5'-dichloroacetophenone. This chemical's molecular formula is C8H5BrCl2O and molecular weight is 267.93. Its IUPAC name is called 2-bromo-1-(2,5-dichlorophenyl)ethanone.

Physical properties of 2-Bromo-1-(2,5-dichlorophenyl)ethanone: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 221.18; (6)ACD/BCF (pH 7.4): 221.18; (7)ACD/KOC (pH 5.5): 1659.47; (8)ACD/KOC (pH 7.4): 1659.47; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.596; (13)Molar Refractivity: 53.8 cm3; (14)Molar Volume: 158 cm3; (15)Surface Tension: 48.1 dyne/cm; (16)Density: 1.695 g/cm3; (17)Flash Point: 130.8 °C; (18)Enthalpy of Vaporization: 53.23 kJ/mol; (19)Boiling Point: 292.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0018 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Cl)C(=O)CBr)Cl
(2)InChI: InChI=1S/C8H5BrCl2O/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3H,4H2
(3)InChIKey: JGILXRDUULAMPY-UHFFFAOYSA-N