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3-Chlorophenylacetone
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Name

3-Chlorophenylacetone

 EINECS N/A
CAS No. 14123-60-5 Density 1.141 g/cm3
PSA 17.07000 LogP 2.47150
Solubility N/A Melting Point N/A
Formula C9H9ClO Boiling Point 236.5 °C at 760 mmHg
Molecular Weight 168.623 Flash Point 116.3 °C
Transport Information N/A Appearance yellow clear liquid
Safety 24/25 Risk Codes 22-52
Molecular Structure Molecular Structure of 14123-60-5 (3-CHLOROPHENYLACETONE) Hazard Symbols Xn
Synonyms

2-Propanone,(m-chlorophenyl)- (6CI,7CI);2-Propanone, 1-(m-chlorophenyl)- (8CI);1-(5-Chlorophenyl)propan-2-one;1-(m-Chlorophenyl)-2-propanone;

Article Data 29

3-Chlorophenylacetone Synthetic route

108-22-5

Isopropenyl acetate

108-42-9

3-chloro-aniline

14123-60-5

3-chlorophenylacetone

Conditions
ConditionsYield
Stage #1: 3-chloro-aniline With tetrafluoroboric acid; cis-nitrous acid
Stage #2: Isopropenyl acetate With copper(I) oxide; sodium acetate Meerwein arylation;		85%
With tert.-butylnitrite; water; salicylic acid In acetonitrile at 20℃; for 3h; Inert atmosphere; Schlenk technique;61%
Stage #1: 3-chloro-aniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.5h;
Stage #2: With tetrafluoroboric acid In water for 3h;
Stage #3: Isopropenyl acetate With copper(I) oxide; sodium acetate In water at 35 - 40℃; for 8h;
109619-78-5

(E)-2-methyl-3-(3-chlorophenyl)acrylic acid

14123-60-5

3-chlorophenylacetone

Conditions
ConditionsYield
With diphenyl phosphoryl azide; triethylamine In toluene at 25 - 110℃; for 1.5h;81%
Multi-step reaction with 2 steps
1: thionyl chloride / tetrachloromethane / 0.5 h / 35 °C
2: sodium azide; tetrabutylammomium bromide; water / tetrachloromethane / 1.5 h / Reflux
View Scheme
1401722-60-8

C9H7ClN2O3S

67-64-1

acetone

14123-60-5

3-chlorophenylacetone

Conditions
ConditionsYield
With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 60℃; for 24h; Inert atmosphere; chemoselective reaction;80%

C6H4ClCH2COCH3FeC5H5(1+)*PF6(1-)

14123-60-5

3-chlorophenylacetone

Conditions
ConditionsYield
Sample heated for 1.0 h at 200-220°C and 1 torr.; Sublimation; chromy. (F-20 alumina, CCl4/CHCl3).;75%

5-Chloro-7-methyl-bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol

A

14123-60-5

3-chlorophenylacetone

B

1-(2-Chloro-6-methyl-phenyl)-ethanone

Conditions
ConditionsYield
With sodium methylate In methanol at 65℃; for 0.25h; Product distribution; variation of base;A 31%
B 69%
With sodium tert-pentoxide In tetrahydrofuran at -40℃; for 0.25h; Yield given. Yields of byproduct given;
With sodium methylate In methanol Heating; Yield given. Yields of byproduct given;
954262-36-3

2-(3'-chlorophenyl)-3-methyloxirane

A

14123-60-5

3-chlorophenylacetone

(RS,RS)-1-fluoro-1-(3'-chlorophenyl)propan-2-ol

Conditions
ConditionsYield
Stage #1: 2-(3'-chlorophenyl)-3-methyloxirane With boron trifluoride diethyl etherate In dichloromethane at -20℃; for 0.166667h;
Stage #2: With water; sodium hydrogencarbonate In dichloromethane optical yield given as %de; stereoselective reaction;		A 74 mg
B 64%
954262-36-3

2-(3'-chlorophenyl)-3-methyloxirane

2-fluoro-4,4,5,5-tetramethyl-1,3-dioxa-2-boracyclopentane

A

14123-60-5

3-chlorophenylacetone

(RS,RS)-1-fluoro-1-(3'-chlorophenyl)propan-2-ol

C9H10ClFO

Conditions
ConditionsYield
In dichloromethane at 20℃; Inert atmosphere;A 23%
B 56%
C n/a
108-22-5

Isopropenyl acetate

456-39-3

3-chlorobenzenediazonium tetrafluoroborate

14123-60-5

3-chlorophenylacetone

Conditions
ConditionsYield
With 1-aminomorpholine In dimethyl sulfoxide; N,N-dimethyl-formamide at 20℃; for 3h;45%
19394-34-4

(E)-1-(3'-chlorophenyl)-2-nitropropene

14123-60-5

3-chlorophenylacetone

Conditions
ConditionsYield
With hydrogenchloride; water; iron
With hydrogenchloride; iron(III) chloride; iron for 1h; Heating;
With hydrogenchloride; iron
1878-65-5

3-chlorophenylacetic acid

108-24-7

acetic anhydride

14123-60-5

3-chlorophenylacetone

Conditions
ConditionsYield
With pyridine modified Dakin West reaction;
With 1-methyl-1H-imidazole at 20℃; for 12h; Dakin-West Ketone Synthesis; Inert atmosphere;

3-Chlorophenylacetone Specification

The 2-Propanone,1-(3-chlorophenyl)-, with the CAS registry number 14123-60-5, is also known as 3-Chlorophenylacetone. It belongs to the product category of Aromatic Ketones (substituted). This chemical's molecular formula is C9H9ClO and molecular weight is 168.62016. Its IUPAC name is called 1-(3-chlorophenyl)propan-2-one. When you are using this chemical, please be cautious about it. You must avoid contact with skin and eyes.

Physical properties of 2-Propanone,1-(3-chlorophenyl)-: (1)ACD/LogP: 2.41; (2)ACD/LogD (pH 5.5): 2.409; (3)ACD/LogD (pH 7.4): 2.409; (4)ACD/BCF (pH 5.5): 39.865; (5)ACD/BCF (pH 7.4): 39.865; (6)ACD/KOC (pH 5.5): 486.763; (7)ACD/KOC (pH 7.4): 486.763; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.526; (11)Molar Refractivity: 45.36 cm3; (12)Molar Volume: 147.828 cm3; (13)Surface Tension: 36.999 dyne/cm; (14)Density: 1.141 g/cm3; (15)Flash Point: 116.264 °C; (16)Enthalpy of Vaporization: 47.334 kJ/mol; (17)Boiling Point: 236.542 °C at 760 mmHg; (18)Vapour Pressure: 0.047 mmHg at 25 °C.

Uses of 2-Propanone,1-(3-chlorophenyl)-: it can be used to produce 3'-chloro-5-nitro-biphenyl-2-ol. This reaction will need reagent aq. sodium hydroxide and solvent ethanol with reaction time of 20 hours. The yield is about 65%.

2-Propanone,1-(3-chlorophenyl)- can be used to produce 3'-chloro-5-nitro-biphenyl-2-ol with Natrium-nitro-malondialdehyd

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)CC1=CC(=CC=C1)Cl
(2)InChI: InChI=1S/C9H9ClO/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6H,5H2,1H3
(3)InChIKey: VCNYPJMEQHTAHS-UHFFFAOYSA-N

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