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Cas Database |
| Name |
Ethanone, 2-chloro-1-(1-chlorocyclopropyl)- |
EINECS | N/A |
| CAS No. | 120983-72-4 | Density | 1.351 g/cm3 |
| PSA | 17.07000 | LogP | 1.56570 |
| Solubility | 5.91g/L at 20℃ | Melting Point |
N/A |
| Formula | C5H6Cl2O | Boiling Point | 201.961 °C at 760 mmHg |
| Molecular Weight | 153.008 | Flash Point | 79.235 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Chloro-1-(1-chlorocyclopropyl)ethanone; |
Article Data | 14 |
Ethanone, 2-chloro-1-(1-chlorocyclopropyl)- Synthetic route
- 63141-09-3
1-chlorocyclopropyl methyl ketone
- 120983-72-4
1-chlorocyclopropyl-2-chloro-ethan-1-one
| Conditions | Yield |
|---|---|
| With chlorine at 10 - 25℃; under 760.051 Torr; for 2h; Temperature; Reagent/catalyst; | 98.5% |
| With sodium nitrate; trichloroisocyanuric acid; antimonypentachloride at 60℃; for 4h; Reagent/catalyst; Solvent; Temperature; | 96.8% |
| With iron(III) chloride; tetrabutylammomium bromide; chlorine In dichloromethane at 15 - 25℃; for 5h; Reagent/catalyst; Temperature; | 93.1% |
- 765-43-5
Cyclopropyl methyl ketone
- 120983-72-4
1-chlorocyclopropyl-2-chloro-ethan-1-one
| Conditions | Yield |
|---|---|
| With N-chloro-succinimide In dichloromethane at 0 - 20℃; | 92% |
| With phosgene In methanol; chloroform at 5 - 15℃; for 3h; Temperature; Reagent/catalyst; Solvent; Reflux; | 71.95% |
- 5891-21-4
5-chloro-2-pentanone
- 120983-72-4
1-chlorocyclopropyl-2-chloro-ethan-1-one
| Conditions | Yield |
|---|---|
| Stage #1: 5-chloro-2-pentanone With thionyl chloride In dichloromethane at 0 - 40℃; for 4h; Stage #2: With tetrabutylammomium bromide; sodium hydroxide In dichloromethane at 40℃; for 3h; Solvent; Temperature; Reagent/catalyst; | 60% |
- 58371-98-5
3, 5-dichloro-2-pentanone
- 120983-72-4
1-chlorocyclopropyl-2-chloro-ethan-1-one
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide; sodium hydroxide In water at 20 - 90℃; for 0.583333h; Reagent/catalyst; Heating; |
- 120983-72-4
1-chlorocyclopropyl-2-chloro-ethan-1-one
| Conditions | Yield |
|---|---|
| With sodium hydroxide In dichloromethane; water at 0℃; for 0.166667h; Reagent/catalyst; Flow reactor; |
- 120983-72-4
1-chlorocyclopropyl-2-chloro-ethan-1-one
- 611-19-8
1-chloro-2-(chloromethyl)benzene
| Conditions | Yield |
|---|---|
| Stage #1: 1-chloro-2-(chloromethyl)benzene With iodine; magnesium In 2-methyltetrahydrofuran; tert-butyl methyl ether at 50℃; for 0.5h; Stage #2: 1-chlorocyclopropyl-2-chloro-ethan-1-one In tert-butyl methyl ether at 0℃; for 0.00833333h; | 95.3% |
| Stage #1: 1-chloro-2-(chloromethyl)benzene With iodine; magnesium In 2-methyltetrahydrofuran; tert-butyl methyl ether at 25 - 50℃; for 4.5h; Inert atmosphere; Large scale; Stage #2: 1-chlorocyclopropyl-2-chloro-ethan-1-one In 2-methyltetrahydrofuran; tert-butyl methyl ether at 0 - 5℃; for 1h; Solvent; Large scale; | 94% |
| Stage #1: 1-chloro-2-(chloromethyl)benzene With iodine; magnesium In tetrahydrofuran for 1h; Cooling with ice; Stage #2: 1-chlorocyclopropyl-2-chloro-ethan-1-one In tetrahydrofuran for 1h; Cooling with ice; | 89% |
| Stage #1: 1-chloro-2-(chloromethyl)benzene With iodine; magnesium In 1,2-dimethoxyethane Grignard Reaction; Stage #2: 1-chlorocyclopropyl-2-chloro-ethan-1-one In 1,2-dimethoxyethane; toluene at 20 - 25℃; for 2h; Solvent; Grignard Reaction; | 81% |
- 120983-72-4
1-chlorocyclopropyl-2-chloro-ethan-1-one
- 1730-25-2
allylmagnesium bromide
- 1311370-58-7
1-chloro-2-(1-chlorocyclopropyl)-4-pentene-2-ol
| Conditions | Yield |
|---|---|
| With ammonium chloride In diethyl ether at -50℃; for 1.33333h; Inert atmosphere; | 77% |
| Stage #1: 1-chlorocyclopropyl-2-chloro-ethan-1-one; allylmagnesium bromide In diethyl ether at -50℃; for 2.33333h; Inert atmosphere; Cooling with ice; Stage #2: With ammonium chloride In diethyl ether; water Cooling with ice; |
- 72093-04-0
3-chloro-4-methylpyridine
- 120983-72-4
1-chlorocyclopropyl-2-chloro-ethan-1-one
| Conditions | Yield |
|---|---|
| Stage #1: 3-chloro-4-methylpyridine With lithium diisopropyl amide In tetrahydrofuran at -70 - -30℃; for 0.0833333h; Inert atmosphere; Stage #2: 1-chlorocyclopropyl-2-chloro-ethan-1-one In tetrahydrofuran at -70 - 20℃; for 1h; Inert atmosphere; | 73% |
| Stage #1: 3-chloro-4-methylpyridine With lithium diisopropyl amide In tetrahydrofuran at -70℃; for 0.0833333h; Inert atmosphere; Stage #2: 1-chlorocyclopropyl-2-chloro-ethan-1-one In tetrahydrofuran at -70 - -30℃; for 1h; Inert atmosphere; | 73% |
- 120983-72-4
1-chlorocyclopropyl-2-chloro-ethan-1-one
- 1826-67-1
vinyl magnesium bromide
| Conditions | Yield |
|---|---|
| Stage #1: 1-chlorocyclopropyl-2-chloro-ethan-1-one; vinyl magnesium bromide In tetrahydrofuran at -20 - 0℃; Inert atmosphere; Stage #2: With ammonium chloride In tetrahydrofuran; water Cooling with ice; | 67% |
- 120983-72-4
1-chlorocyclopropyl-2-chloro-ethan-1-one
| Conditions | Yield |
|---|---|
| With potassium iodide In methanol at 70℃; for 46h; | 46% |
| With potassium iodide In methanol at 70℃; for 46h; |
Ethanone, 2-chloro-1-(1-chlorocyclopropyl)- Specification
The Ethanone, 2-chloro-1-(1-chlorocyclopropyl)-, with the CAS registry number 120983-72-4, is also known as 1-Chlorocyclopropyl chloromethyl ketone. It belongs to the product category of Acetylhalide. This chemical's molecular formula is C5H6Cl2O and molecular weight is 153.00654. What's more, its systematic name is called 2-Chloro-1-(1-chlorocyclopropyl)ethanone. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties about Ethanone, 2-chloro-1-(1-chlorocyclopropyl)- are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 69; (8)ACD/KOC (pH 7.4): 69; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 32.939 cm3; (15)Molar Volume: 113.289 cm3; (16)Surface Tension: 37.274 dyne/cm; (17)Density: 1.351 g/cm3; (18)Flash Point: 79.235 °C; (19)Enthalpy of Vaporization: 43.818 kJ/mol; (20)Boiling Point: 201.961 °C at 760 mmHg; (21)Vapour Pressure: 0.3 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCC(=O)C1(Cl)CC1
(2) InChI: InChI=1/C5H6Cl2O/c6-3-4(8)5(7)1-2-5/h1-3H2
(3) InChIKey: VHHGLRZRRBYTNE-UHFFFAOYAK
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