2234-16-4 (2',4'-Dichloroacetophenone)

1. Introduction

Product Name: 2’, 4’-Dichloroacetophenone (CAS NO.: 2234-16-4)
Chemical Name: 2’, 4’-Dichloroacetophenone
CAS NO.: 2234-16-4
Molecular Formula: C₈H₆Cl₂O
Molecular Weight: 189.04
Appearance: Colorless liquid
Melting Point: 33℃-34℃
Purity: 99%
Usage: Synthesize Ketoconazole, Miconazole and Propiconazole
Packing: 250kg/barrel
It can also be packed according to the customer requirements and packaging specifications.

   

   

2. Basic Information

2’,4’-Dichloroacetophenone (CAS NO.: 2234-16-4) is a kind of colorless liquid, and it has its IUPAC Name of 1-(2,4-dichlorophenyl) ethanone. This chemical has its EINECS number of 218-780-8 and could also be called as 2',4'-Dichloroacetophenone. It is soluble in organic solvents such as benzene, methylbenzene and alcohol while insoluble in water.

2’,4’-Dichloroacetophenone, with its CAS registry nubmer 2234-16-4 could be applied in many ways. It could be used as the pharmaceutical intermediates, such as in synthesis of Ketoconazole, Miconazole, Propiconazole. And it could also used as the raw material in producing some chemicals. Besides, 2’,4’-Dichloroacetophenone is slightly harmful to the water, and it should be kept sealed in the container in a dry and cool place, away from oxidizing material.

1). Properties

The other characteristics of 2’,4’-Dichloroacetophenone (CAS NO.: 2234-16-4) can be summarized as: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 17.07; (9)Index of Refraction: 1.548; (10)Molar Refractivity: 46.07 cm³; (11)Molar Volume: 144.8 cm³; (12)Polarizability: 18.26 × 10^-24cm³; (13)Surface Tension: 39.9 dyne/cm; (14)Density: 1.304 g/cm³; (15)Flash Point: 100.9 °C; (16)Enthalpy of Vaporization: 48.38 kJ/mol; (17)Boiling Point: 246.7 °C at 760 mmHg; (18)Vapour Pressure: 0.0268 mmHg at 25°C.

2). Use

2’,4’-Dichloroacetophenone (CAS NO.: 2234-16-4) could react to product 2,4-Dichlorphenacylidinbromid. And this reaction happens with the reagent of Br, AcONa and solvent of CCl₄ in the condition of heating, with its yield of 90 %.



3). Safety Information

When you are dealing with 2’,4’-Dichloroacetophenone (CAS NO.: 2234-16-4), you should be careful. For one thing, this chemical is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. For another thing, it is harmful if swallowed, and may have risk of serious damage to eyes. What's more, it is harmful to aquatic organisms, which may cause long-term adverse effects in the aquatic environment.

Therefore, if in case of danger, you should take some measures to protect youreself from danger. Wear suitable protective clothing and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And remember to avoid releasing this chemical to the environment, and you could also refer to special instructions/safety data sheet.

4). Descriptors of Structure

(1)SMILES: O=C(C)c1ccc(Cl)cc1Cl
(2)Std. InChI: InChI=1S/C8H6Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
(3)Std. InChIKey: XMCRWEBERCXJCH-UHFFFAOYSA-N