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Basic Information
CAS No.: 2564-05-8
Name: 2-CHLORO-N-(3-CHLOROPHENYL)ACETAMIDE
Article Data: 100
Molecular Structure:
Molecular Structure of 2564-05-8 (2-CHLORO-N-(3-CHLOROPHENYL)ACETAMIDE)
Formula: C8H7Cl2NO
Molecular Weight: 204.056
Synonyms: Acetanilide,2,3'-dichloro- (6CI,7CI,8CI);2,3'-Dichloroacetanilide;2-Chloro-N-(3-chlorophenyl)acetamide;2-Chloro-N-(m-chlorophenyl)acetamide;N-(3-Chlorophenyl)chloroacetamide;N-(Chloroacetyl)-m-chloroaniline;N-Chloroacetyl-3-chloroaniline;NSC 8368;a-Chloro-N-(3-chlorophenyl)acetamide;
Density: 1.399 g/cm3
Melting Point: 93 °C
Boiling Point: 365 °C at 760 mmHg
Flash Point: 174.6 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
Safety: 26
PSA: 29.10000
LogP: 2.59030
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Specification

This chemical is called Acetanilide, 2,3'-dichloro-, and its systematic name is 2-chloro-N-(3-chlorophenyl)acetamide. With the molecular formula of C8H7Cl2NO, its molecular weight is 204.05. The CAS registry number of this chemical is 2564-05-8.

Other characteristics of the Acetanilide, 2,3'-dichloro- can be summarised as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 36.11; (6)ACD/BCF (pH 7.4): 36.11; (7)ACD/KOC (pH 5.5): 453.46; (8)ACD/KOC (pH 7.4): 453.45; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 50.26 cm3; (15)Molar Volume: 145.8 cm3; (16)Polarizability: 19.92×10-24cm3; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.399 g/cm3; (19)Flash Point: 174.6 °C; (20)Enthalpy of Vaporization: 61.13 kJ/mol; (21)Boiling Point: 365 °C at 760 mmHg; (22)Vapour Pressure: 1.62E-05 mmHg at 25°C.

Production method of this chemical: The Acetanilide, 2,3'-dichloro- could be obtained by the reactants of chloroacetyl chloride and 3-chloro-aniline. This reaction needs the solvent of benzene. The yield is 62 %. In addition, this reaction needs the condition of heating.

Uses of this chemical: The Acetanilide, 2,3'-dichloro- could react with 1H-benzoimidazole, and obtain the 2-benzoimidazol-1-yl-N-(3-chloro-phenyl)-acetamide. This reaction needs the solvent of methanol. The yield is 52 %. In addition, this reaction should be taken for 8 hours. The other condition is heating.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(NC(=O)CCl)ccc1
2.InChI: InChI=1/C8H7Cl2NO/c9-5-8(12)11-7-3-1-2-6(10)4-7/h1-4H,5H2,(H,11,12)
3.InChIKey: KNVBYGNINQITJC-UHFFFAOYAS