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| CAS No.: | 14123-60-5 |
|---|---|
| Name: | 3-CHLOROPHENYLACETONE |
| Article Data: | 29 |
| Molecular Structure: | |
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|
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| Formula: | C9H9ClO |
| Molecular Weight: | 168.623 |
| Synonyms: | 2-Propanone,(m-chlorophenyl)- (6CI,7CI);2-Propanone, 1-(m-chlorophenyl)- (8CI);1-(5-Chlorophenyl)propan-2-one;1-(m-Chlorophenyl)-2-propanone; |
| Density: | 1.141 g/cm3 |
| Boiling Point: | 236.5 °C at 760 mmHg |
| Flash Point: | 116.3 °C |
| Appearance: | yellow clear liquid |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-52 |
| Safety: | 24/25 |
| PSA: | 17.07000 |
| LogP: | 2.47150 |
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| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 |
| Conditions | Yield |
|---|---|
| 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% |
- 14123-60-5
3-chlorophenylacetone
| Conditions | Yield |
|---|---|
| Sample heated for 1.0 h at 200-220°C and 1 torr.; Sublimation; chromy. (F-20 alumina, CCl4/CHCl3).; | 75% |
A
- 14123-60-5
3-chlorophenylacetone
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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
A
- 14123-60-5
3-chlorophenylacetone
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With hydrogenchloride; water; iron | |
| With hydrogenchloride; iron(III) chloride; iron for 1h; Heating; | |
| With hydrogenchloride; iron |
| Conditions | Yield |
|---|---|
| With pyridine modified Dakin West reaction; | |
| With 1-methyl-1H-imidazole at 20℃; for 12h; Dakin-West Ketone Synthesis; Inert atmosphere; |
- Total:36 Page 1 of 1 1
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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%.
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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