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13221-80-2

Basic Information
CAS No.: 13221-80-2
Name: Ethanone,2-chloro-1-[4-(4-chlorophenoxy)phenyl]-
Article Data: 4
Cas Database
Molecular Structure:
Molecular Structure of 13221-80-2 (Ethanone,2-chloro-1-[4-(4-chlorophenoxy)phenyl]-)
Formula: C14H10Cl2O2
Molecular Weight: 281.138
Synonyms: Acetophenone,2-chloro-4'-(p-chlorophenoxy)- (7CI,8CI);4-(Chloroacetyl)-4'-chlorodiphenylether;2-Chloro-1-[4-(4-chlorophenoxy)phenyl]ethanone;4-(4-Chlorophenoxy)-2-chlorophenylethanone;
EINECS: N/A
Density: 1.308 g/cm3
Melting Point: N/A
Boiling Point: 401.5 °C at 760 mmHg
Flash Point: 163.6 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 26.30000
LogP: 4.55380
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    4-(4-CHLOROPHENOXY)-2 CHLORO PHENYL ETHANONE;2-[2-chloro-4-(4-chlorophenoxy)phenyl]acetaldehyde;2-chloro-1-[4-(4-chlorophenoxy)phenyl]ethanone CAS No.: 13221-80-2 Molecular formula: C14H10Cl2O2 4-(4-Chlorophenoxy)-2'-chloroacetophenon

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Specification

The Ethanone,2-chloro-1-[4-(4-chlorophenoxy)phenyl]-, with the CAS registry number 13221-80-2, is also known as 4-(4-Chlorophenoxy)-2-chlorophenylethanone. This chemical's molecular formula is C14H10Cl2O2 and molecular weight is 281.13. What's more, its systematic name is 2-chloro-1-[4-(4-chlorophenoxy)phenyl]ethanone.

Physical properties of Ethanone,2-chloro-1-[4-(4-chlorophenoxy)phenyl]- are: (1)ACD/LogP: 4.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.69; (4)ACD/LogD (pH 7.4): 4.69; (5)ACD/BCF (pH 5.5): 2154.8; (6)ACD/BCF (pH 7.4): 2154.8; (7)ACD/KOC (pH 5.5): 8465.42; (8)ACD/KOC (pH 7.4): 8465.42; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 72.46 cm3; (15)Molar Volume: 214.8 cm3; (16)Polarizability: 28.72×10-24cm3; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.308 g/cm3; (19)Flash Point: 163.6 °C; (20)Enthalpy of Vaporization: 65.25 kJ/mol; (21)Boiling Point: 401.5 °C at 760 mmHg; (22)Vapour Pressure: 1.18E-06 mmHg at 25°C.

Preparation of Ethanone,2-chloro-1-[4-(4-chlorophenoxy)phenyl]-: this chemical can be prepared by chloroacetyl chloride and (4-chloro-phenyl)-phenyl ether. This reaction will need reagent AlCl3 and solvent CS2. The yield is about 70%.

Ethanone,2-chloro-1-[4-(4-chlorophenoxy)phenyl]- can be prepared by chloroacetyl chloride and (4-chloro-phenyl)-phenyl ether

Uses of Ethanone,2-chloro-1-[4-(4-chlorophenoxy)phenyl]-: it can be used to produce ethyl trans-3-[4-(4-chlorophenoxy)benzoyl]glycidate at the ambient temperature. It will need reagent NaOEt and solvent ethanol with the reaction time of 2 hours. The yield is about 61.6%.

Ethanone,2-chloro-1-[4-(4-chlorophenoxy)phenyl]- can be used to produce ethyl trans-3-[4-(4-chlorophenoxy)benzoyl]glycidate at the ambient temperature

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1C(=O)CCl)Oc2ccc(cc2)Cl
(2)InChI: InChI=1S/C14H10Cl2O2/c15-9-14(17)10-1-5-12(6-2-10)18-13-7-3-11(16)4-8-13/h1-8H,9H2
(3)InChIKey: UASGQUAGMKEZDJ-UHFFFAOYSA-N