CAS No.120983-72-4,Ethanone, 2-chloro-1-(1-chlorocyclopropyl)- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	120983-72-4
Name:	Ethanone, 2-chloro-1-(1-chlorocyclopropyl)- (9CI)
Article Data:	14

Formula:	C₅H₆Cl₂O
Molecular Weight:	153.008
Synonyms:	2-Chloro-1-(1-chlorocyclopropyl)ethanone;
Density:	1.351 g/cm³
Boiling Point:	201.961 °C at 760 mmHg
Flash Point:	79.235 °C
Solubility:	5.91g/L at 20℃
PSA:	17.07000
LogP:	1.56570

Synthetic route

: 63141-09-3
1-chlorocyclopropyl methyl ketone

: 120983-72-4
1-chlorocyclopropyl-2-chloro-ethan-1-one

Conditions

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

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

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

Conditions	Yield
With tetrabutylammomium bromide; sodium hydroxide In water at 20 - 90℃; for 0.583333h; Reagent/catalyst; Heating;

: 1,3,5-trichloro-2-pentanone

: 120983-72-4
1-chlorocyclopropyl-2-chloro-ethan-1-one

Conditions

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

: 3-chloro-2-(1-chloro-cycloprop-1-yl)-1-(2-chloro-phenyl)-propan-2-ol

Conditions

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

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

: 3-chloro-4-{[2-(1-chlorocyclopropyl)oxiran-2-yl]methyl}pyridine

Conditions

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

: 1-chloro-2-(1-chlorocyclopropyl)-3-buten-2-ol

Conditions

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

: 1-allyl-1H-imidazole-4-carbonitrile

: 1-allyl-3-[2-(1-chlorocyclopropyl)-2-oxoethyl]-4-cyano-1H-imidazol-3-ium iodide

Conditions

Conditions	Yield
With potassium iodide In methanol at 70℃; for 46h;	46%
With potassium iodide In methanol at 70℃; for 46h;

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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