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Basic Information
CAS No.: 61124-56-9
Name: ETHANONE, 1-(4-CHLORO-3-HYDROXYPHENYL)-
Article Data: 5
Molecular Structure:
Molecular Structure of 61124-56-9 (ETHANONE, 1-(4-CHLORO-3-HYDROXYPHENYL)-)
Formula: C8H7ClO2
Molecular Weight: 170.595
Synonyms: 1-(4-Chloro-3-hydroxyphenyl)ethanone;4'-Chloro-3'-hydroxyacetophenone;
Density: 1.299 g/cm3
Melting Point: 106–107°C
Boiling Point: 304.471 °C at 760 mmHg
Flash Point: 137.939 °C
PSA: 37.30000
LogP: 2.24820
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Specification

The Ethanone,1-(4-chloro-3-hydroxyphenyl)-, with the CAS registry number 61124-56-9, is also known as 4'-Chloro-3'-hydroxyacetophenone. This chemical's molecular formula is C8H7ClO2 and molecular weight is 170.594. What's more, its systematic name is 1-(4-Chloro-3-hydroxyphenyl)ethanone

Physical properties about Ethanone,1-(4-chloro-3-hydroxyphenyl)-: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 21; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 303; (8)ACD/KOC (pH 7.4): 199; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 43.057 cm3; (15)Molar Volume: 131.344 cm3; (16)Surface Tension: 46.692 dyne/cm; (17)Density: 1.299 g/cm3; (18)Flash Point: 137.939 °C; (19)Enthalpy of Vaporization: 56.66 kJ/mol; (20)Boiling Point: 304.471 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Ethanone,1-(4-chloro-3-hydroxyphenyl)-: it can be obtained by 2-(4'-Chloro-3'-hydroxyphenyl)-2,4,5-trimethyl-1,3-dioxolane. The reaction occurs with reagent conc. HCl and solvents tetrahydrofuran, H2O heating for 2 hours. The yield is 94%.

Ethanone,1-(4-chloro-3-hydroxyphenyl- can be obtained by 2-(4'-Chloro-3'-hydroxyphenyl)-2,4,5-trimethyl-1,3-dioxolane

Uses of Ethanone,1-(4-chloro-3-hydroxyphenyl)-: it is used to produce 4-Chloro-3-hydroxyphenacyl bromide. The reaction occurs with reagent dioxane dibromide and solvents dioxane, diethyl ether at ambient temperature for 2 hours. The yield is 84%.

 Ethanone,1-(4-chloro-3-hydroxyphenyl)- is used to produce 4-Chloro-3-hydroxyphenacyl bromide

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1cc(ccc1Cl)C(C)=O
(2) InChI: InChI=1/C8H7ClO2/c1-5(10)6-2-3-7(9)8(11)4-6/h2-4,11H,1H3
(3) InChIKey: ZJRFCVYGGNITQR-UHFFFAOYAJ