Product Name

  • Name

    Chloroacetone

  • EINECS 201-161-1
  • CAS No. 78-95-5
  • Article Data142
  • CAS DataBase
  • Density 1.162 g/cm3
  • Solubility 124 g/L (20 °C ) in water
  • Melting Point -44.5 °C
  • Formula C3H5ClO
  • Boiling Point 120 °C at 760 mmHg
  • Molecular Weight 92.5251
  • Flash Point 27.8 °C
  • Transport Information UN 1695 6.1/PG 1
  • Appearance colourless to dark yellow liquid
  • Safety 16-23-36/37/39-45-60-61-38-28A-26
  • Risk Codes 10-24/25-26-36/37/38-50/53
  • Molecular Structure Molecular Structure of 78-95-5 (Chloroacetone)
  • Hazard Symbols ToxicT, FlammableF, IrritantXi, VeryT+, DangerousN
  • Synonyms 1-chloropropan-2-one;
  • PSA 17.07000
  • LogP 0.81420

Synthetic route

acetone
67-64-1

acetone

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
With chlorine; calcium carbonate In water at 110℃; Reagent/catalyst; Temperature;95.6%
With methanol; sulfuryl dichloride In dichloromethane85%
With sulfuryl dichloride
(C4H9)3SnOCH(CH2Cl)2
35952-61-5

(C4H9)3SnOCH(CH2Cl)2

A

tributyltin chloride
1461-22-9

tributyltin chloride

B

chloroacetone
78-95-5

chloroacetone

C

epichlorohydrin
106-89-8

epichlorohydrin

Conditions
ConditionsYield
63% decompn. at 210°C (1 h);A n/a
B 5%
C 95%
acetone
67-64-1

acetone

A

1,1-Dichloroacetone
513-88-2

1,1-Dichloroacetone

B

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
With trichloroisocyanuric acid; boron trifluoride diethyl etherate In acetic acid for 1h; Heating; Yields of byproduct given;A n/a
B 88%
With water; chlorine; calcium carbonate
methyl 2-chloroacetoacetate
4755-81-1

methyl 2-chloroacetoacetate

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
With sulfuric acid for 3h; Heating;85%
1,3-Dichloro-2-propanol
96-23-1

1,3-Dichloro-2-propanol

A

chloroacetone
78-95-5

chloroacetone

B

epichlorohydrin
106-89-8

epichlorohydrin

Conditions
ConditionsYield
With HT4-c823 In water at 149.84℃; under 750.075 Torr; for 0.5h; Catalytic behavior; Reagent/catalyst; Temperature; Flow reactor; chemoselective reaction;A 18.9%
B 80.5%
diazoacetone
2684-62-0

diazoacetone

A

chloroacetone
78-95-5

chloroacetone

B

2-diazo-3-oxobutanal
177084-70-7

2-diazo-3-oxobutanal

Conditions
ConditionsYield
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane for 1h; Ambient temperature;A 50%
B 14%
diazoacetone
2684-62-0

diazoacetone

N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

A

chloroacetone
78-95-5

chloroacetone

B

2-diazo-3-oxobutanal
177084-70-7

2-diazo-3-oxobutanal

Conditions
ConditionsYield
With oxalyl dichloride In dichloromethane for 1h; Ambient temperature;A 50%
B 14%
diazoacetone
2684-62-0

diazoacetone

A

4,5-dimethylfuran-3(2H)-one

4,5-dimethylfuran-3(2H)-one

B

hydroxy-2-propanone
116-09-6

hydroxy-2-propanone

C

chloroacetone
78-95-5

chloroacetone

D

1,1'-oxydi(propan-2-one)
76089-31-1

1,1'-oxydi(propan-2-one)

Conditions
ConditionsYield
With hydrogenchloride; gallium(III) trichloride; water In dichloromethane at 20℃; for 0.0833333h;A 34%
B 8%
C 20%
D 31%
cis/trans-3,5-Bis-(chloromethyl)-3-fluoro-5-methyl-1,2,4-trioxolane
173063-66-6

cis/trans-3,5-Bis-(chloromethyl)-3-fluoro-5-methyl-1,2,4-trioxolane

A

chloroacetone
78-95-5

chloroacetone

B

chloroacetyl chloride
79-04-9

chloroacetyl chloride

C

Chloro-acetic acid 1,2-dichloro-1-methyl-ethyl ester

Chloro-acetic acid 1,2-dichloro-1-methyl-ethyl ester

Conditions
ConditionsYield
With triphenylphosphine In chloroform-d1A 28 % Spectr.
B 23 % Spectr.
C 33%
{Pd2(μ-H)(COCH3)2(μ-dppm)2}BPh4
115290-60-3

{Pd2(μ-H)(COCH3)2(μ-dppm)2}BPh4

Pd2(CH3)2(Cl)2(μdppm)2
98194-67-3

Pd2(CH3)2(Cl)2(μdppm)2

B

acetaldehyde
75-07-0

acetaldehyde

C

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
In dichloromethane warming of {Pd2(μ-H)(COCH3)2(dppm)2}BPh4 in CH2Cl2 (23°C, 24 h);A 32%
B n/a
C n/a
4-methyleneoxetan-2-one
674-82-8

4-methyleneoxetan-2-one

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
With chlorine at 0 - 10℃; Kochen des Reaktionsprodukts mit Wasser;
2,3-Dichloroprop-1-ene
78-88-6

2,3-Dichloroprop-1-ene

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
With sulfuric acid Destillieren der Loesung mit Wasser;
diazoacetone
2684-62-0

diazoacetone

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
With hydrogenchloride; diethyl ether
Stage #1: diazoacetone With ethylaluminum dichloride In hexane; dichloromethane at 20℃; for 0.0166667h;
Stage #2: With methanol In hexane; dichloromethane
1,2-propanediene
463-49-0

1,2-propanediene

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
With water; chlorine
chloroform
67-66-3

chloroform

1,4-dichloro-2-methyl-2-butene
29843-58-1

1,4-dichloro-2-methyl-2-butene

A

2-chloroethanal
107-20-0

2-chloroethanal

B

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
beim Ozonisierung und Behandeln des Ozonids mit Wasser bei 75-80grad;
(E)-1,3-dichloro-2-methyl-2-butene
52842-49-6

(E)-1,3-dichloro-2-methyl-2-butene

A

acetic acid
64-19-7

acetic acid

B

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
bei der Ozonspaltung;
β-chloro-α-hydroxy-isobutyronitrile
33401-05-7

β-chloro-α-hydroxy-isobutyronitrile

A

hydrogen cyanide
74-90-8

hydrogen cyanide

B

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
beim Destillieren unter gewoehnlichem Druck;
ethyl hypochlorite
624-85-1

ethyl hypochlorite

acetone
67-64-1

acetone

chloroacetone
78-95-5

chloroacetone

bis(2-chloroethyl)selenium dichloride
106471-36-7

bis(2-chloroethyl)selenium dichloride

acetone
67-64-1

acetone

chloroacetone
78-95-5

chloroacetone

bis(2-bromoethyl)selenium dichloride
116008-96-9

bis(2-bromoethyl)selenium dichloride

acetone
67-64-1

acetone

chloroacetone
78-95-5

chloroacetone

chlorourea
3135-74-8

chlorourea

acetone
67-64-1

acetone

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
With water
dibenzyl sulfide
538-74-9

dibenzyl sulfide

acetone
67-64-1

acetone

N-chlorobenzamide
1821-34-7

N-chlorobenzamide

A

N-benzoyl-S,S-dibenzyl-sulfimide

N-benzoyl-S,S-dibenzyl-sulfimide

B

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
at -20℃;
propenyl chloride
590-21-6

propenyl chloride

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
With N-oxo-N-nitrosoamine at 280℃; under 367754 Torr;
1-Chloro-2-propanol
127-00-4

1-Chloro-2-propanol

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
With chromic acid
With ruthenium(IV) oxide; sodium chloride In water; ethyl acetate electrooxidation;
With sodium hydroxide; N-bromoacetamide In water at 24.9℃; Mechanism; Kinetics; Thermodynamic data; var. of temp. (Tab. VI); ΔH(excit.), ΔS(excit.), ΔF(excit.);
methyloxirane
75-56-9, 16033-71-9

methyloxirane

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
With chlorine at 0℃;
acetyl chloride
75-36-5

acetyl chloride

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
With hydrogenchloride 1.) ether, 2 h, -20 to 0 deg C, 2.) -20 deg C to room temp.; Multistep reaction;
2-chloro-1,2-epoxypropane
5950-21-0

2-chloro-1,2-epoxypropane

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
for 48h;
1,3-Dichloro-2-propanol
96-23-1

1,3-Dichloro-2-propanol

A

2,3-Dichloro-1-propanol
616-23-9

2,3-Dichloro-1-propanol

B

1,2,3-trichloropropane
96-18-4

1,2,3-trichloropropane

C

1-chloro-3-(2-chloro-1-chloromethyl-ethoxy)-propan-2-ol
23916-48-5

1-chloro-3-(2-chloro-1-chloromethyl-ethoxy)-propan-2-ol

D

chloroacetone
78-95-5

chloroacetone

Conditions
ConditionsYield
at 180℃; Product distribution; also in the presence of 1.5 percent HCl or 5percent epichlorhydrin;
4-pyridone
108-96-3

4-pyridone

chloroacetone
78-95-5

chloroacetone

1-(2-oxopropyl)-4-pyridone
153075-85-5

1-(2-oxopropyl)-4-pyridone

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 4h;100%
Octanethiol
111-88-6

Octanethiol

chloroacetone
78-95-5

chloroacetone

3-Octylthiopropan-2-one
20233-08-3

3-Octylthiopropan-2-one

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃; for 1h;100%
With potassium carbonate In tetrahydrofuran
O-benzylhydoxylamine hydrochloride
2687-43-6

O-benzylhydoxylamine hydrochloride

chloroacetone
78-95-5

chloroacetone

1-chloropropan-2-one O-benzyloxime
83200-26-4

1-chloropropan-2-one O-benzyloxime

Conditions
ConditionsYield
With sodium hydrogencarbonate In water at 20℃; for 5h;100%
With sodium hydroxide In methanol 2.) room temp., 5 h;91%
2,6-dimethyl-1,5-dihydroxynaphthalene
123979-29-3

2,6-dimethyl-1,5-dihydroxynaphthalene

chloroacetone
78-95-5

chloroacetone

2,6-Dimethyl-1,5-bis(2-oxopropoxy)naphthalene
137517-19-2

2,6-Dimethyl-1,5-bis(2-oxopropoxy)naphthalene

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide Ambient temperature;100%
2,6-Dipropyl-1,5-naphthalenediol
137517-25-0

2,6-Dipropyl-1,5-naphthalenediol

chloroacetone
78-95-5

chloroacetone

2,6-Dipropyl-1,5-bis(2-oxopropoxy)naphthalene
137517-22-7

2,6-Dipropyl-1,5-bis(2-oxopropoxy)naphthalene

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide Ambient temperature;100%
Diethyl 2-methyl-2-(4-thiocarbamoylphenyl)malonate
132483-78-4

Diethyl 2-methyl-2-(4-thiocarbamoylphenyl)malonate

chloroacetone
78-95-5

chloroacetone

Diethyl 2-methyl-2-<4-(4-methylthiozol-2-yl)phenyl>malonate
138569-11-6

Diethyl 2-methyl-2-<4-(4-methylthiozol-2-yl)phenyl>malonate

Conditions
ConditionsYield
In benzene for 3.25h; Heating;100%
chloroacetone
78-95-5

chloroacetone

1-trimethylsilylpyrazole
18156-75-7

1-trimethylsilylpyrazole

(chloro-1' trimethylsiloxy-2' isopropyl)-1 pyrazole

(chloro-1' trimethylsiloxy-2' isopropyl)-1 pyrazole

Conditions
ConditionsYield
at 80℃; for 1h;100%
chloroacetone
78-95-5

chloroacetone

1-trimethylsilyl-1,2,4-triazole
18293-54-4

1-trimethylsilyl-1,2,4-triazole

(chloro-1' trimethylsiloxy-2' isopropyl)-1 triazole-1,2,4

(chloro-1' trimethylsiloxy-2' isopropyl)-1 triazole-1,2,4

Conditions
ConditionsYield
at 100℃; for 1h;100%
chloroacetone
78-95-5

chloroacetone

1-(trimethylsilyl)-1H-benzotriazole
43183-36-4

1-(trimethylsilyl)-1H-benzotriazole

(chloro-1' trimethylsiloxy-2' isopropyl)-1 benzotriazole

(chloro-1' trimethylsiloxy-2' isopropyl)-1 benzotriazole

Conditions
ConditionsYield
at 100℃; for 1h;100%
chloroacetone
78-95-5

chloroacetone

5-(4-pyridinyl)-1,3,4-oxadiazole-2-thiol
15264-63-8

5-(4-pyridinyl)-1,3,4-oxadiazole-2-thiol

1-(5-Pyridin-4-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-propan-2-one
81555-96-6

1-(5-Pyridin-4-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-propan-2-one

Conditions
ConditionsYield
With sodium hydroxide for 12h; Ambient temperature;100%
8-Chloro-2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one
110766-90-0

8-Chloro-2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one

chloroacetone
78-95-5

chloroacetone

8-Chloro-2-methyl-5-(2-oxo-propyl)-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one

8-Chloro-2-methyl-5-(2-oxo-propyl)-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one

Conditions
ConditionsYield
With potassium hydroxide; tetrabutylammomium bromide In tetrahydrofuran Ambient temperature;100%
chloroacetone
78-95-5

chloroacetone

6-Fluoro-4-methyl-2-phenyl-thieno[2,3-d]pyrimidin-5-ylamine
216776-76-0

6-Fluoro-4-methyl-2-phenyl-thieno[2,3-d]pyrimidin-5-ylamine

6-acetyl-5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidine
115073-27-3

6-acetyl-5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidine

Conditions
ConditionsYield
With potassium carbonate100%
2-Mercaptobenzothiazole
149-30-4

2-Mercaptobenzothiazole

chloroacetone
78-95-5

chloroacetone

2-acetonylthiobenzimidazole hydrochloride

2-acetonylthiobenzimidazole hydrochloride

Conditions
ConditionsYield
at 60℃; for 12h; Solid phase reaction; substitution;100%
chloroacetone
78-95-5

chloroacetone

5-(2-chlorophenyl)-3-mercapto-2-cyclohexen-1-one
239131-42-1

5-(2-chlorophenyl)-3-mercapto-2-cyclohexen-1-one

5-(2-chlorophenyl)-3-[(2-oxopropyl)thio]-2-cyclohexen-1-one
239131-43-2

5-(2-chlorophenyl)-3-[(2-oxopropyl)thio]-2-cyclohexen-1-one

Conditions
ConditionsYield
With sodium ethanolate In ethanol at 20℃; for 5h;100%
With sodium ethanolate In ethanol at 20℃; for 5h;
dibenzo[b,f]thiepin-10(11H)-one
1898-85-7

dibenzo[b,f]thiepin-10(11H)-one

chloroacetone
78-95-5

chloroacetone

1-(dibenzo[b,f]thiepin-10-yloxy)-propan-2-one

1-(dibenzo[b,f]thiepin-10-yloxy)-propan-2-one

Conditions
ConditionsYield
With sodium hydride In dimethyl sulfoxide100%
With sodium hydride In dimethyl sulfoxide at 20℃;23%
2-bromo-4-fluoro-phenol
496-69-5

2-bromo-4-fluoro-phenol

chloroacetone
78-95-5

chloroacetone

1-(2-bromo-4-fluorophenoxy)propan-2-one
286836-12-2

1-(2-bromo-4-fluorophenoxy)propan-2-one

Conditions
ConditionsYield
With potassium carbonate; potassium iodide In tetrahydrofuran for 4h; Heating / reflux;100%
With potassium carbonate; potassium iodide In tetrahydrofuran for 4h; Heating / reflux;100%
With potassium carbonate In N,N-dimethyl-formamide at 0 - 20℃;59%
With potassium carbonate; potassium iodide In acetone at 55℃; for 2h;
With potassium iodide; potassium carbonate In tetrahydrofuran; ethyl acetate2.7 gm (100%)
2-hydroxy-4 methoxybenzonitrile
39835-11-5

2-hydroxy-4 methoxybenzonitrile

chloroacetone
78-95-5

chloroacetone

C11H11NO3
869789-23-1

C11H11NO3

Conditions
ConditionsYield
With potassium carbonate; potassium iodide In acetone at 0 - 20℃; for 1h; Heating / reflux;100%
N-[4-({[tert-butyl(dimethyl)silyl]oxy}methyl)pyridin-2-yl]thiourea
872707-11-4

N-[4-({[tert-butyl(dimethyl)silyl]oxy}methyl)pyridin-2-yl]thiourea

chloroacetone
78-95-5

chloroacetone

{2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-4-yl}methanol
872707-12-5

{2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-4-yl}methanol

Conditions
ConditionsYield
In ethanol for 16h; Heating / reflux;100%
In ethanol for 16h; Heating / reflux;100%
In ethanol for 16h; Heating / reflux; Under nitrogen;100%
2-Cyclopropylamino-4,6-difluoro-benzoic acid
1059686-59-7

2-Cyclopropylamino-4,6-difluoro-benzoic acid

chloroacetone
78-95-5

chloroacetone

2-Cyclopropylamino-4,6-difluoro-benzoic acid 2-oxo-propyl ester
1059686-60-0

2-Cyclopropylamino-4,6-difluoro-benzoic acid 2-oxo-propyl ester

Conditions
ConditionsYield
Stage #1: 2-Cyclopropylamino-4,6-difluoro-benzoic acid With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 1h;
Stage #2: chloroacetone In N,N-dimethyl-formamide at 20 - 55℃; for 1.5h;
100%
1-(5-bromo-3-(phenylthio)pyridin-2-yl)thiourea
953045-29-9

1-(5-bromo-3-(phenylthio)pyridin-2-yl)thiourea

chloroacetone
78-95-5

chloroacetone

N-(5-bromo-3-(phenylthio)pyridin-2-yl)-4-methylthiazol-2-amine
953040-73-8

N-(5-bromo-3-(phenylthio)pyridin-2-yl)-4-methylthiazol-2-amine

Conditions
ConditionsYield
With triethylamine In ethanol at 70℃; for 6h;100%
tert-butyl (S)-1-amino-3-(1H-indol-3-yl)-1-thioxopropan-2-yl carbamate
1189115-86-3

tert-butyl (S)-1-amino-3-(1H-indol-3-yl)-1-thioxopropan-2-yl carbamate

chloroacetone
78-95-5

chloroacetone

tert-butyl [(S)-1-(4-hydroxy-4-methyl-4,5-dihydro-thiazol-2-yl)-2-(1H-indol-3-yl)-ethyl]-carbamate
1189115-87-4

tert-butyl [(S)-1-(4-hydroxy-4-methyl-4,5-dihydro-thiazol-2-yl)-2-(1H-indol-3-yl)-ethyl]-carbamate

Conditions
ConditionsYield
With potassium hydrogencarbonate In 1,2-dimethoxyethane at 45 - 70℃;100%
C9H9ClOS
1186033-44-2

C9H9ClOS

chloroacetone
78-95-5

chloroacetone

1-(4-chloro-1H-benzo[b]thiophen-2-yl)ethanone
66490-34-4

1-(4-chloro-1H-benzo[b]thiophen-2-yl)ethanone

Conditions
ConditionsYield
With calcium oxide In acetone at 59℃;100%
With calcium oxide for 3h; Reflux;
2-(ethylsulfanyl)benzenecarbaldehyde
53606-33-0

2-(ethylsulfanyl)benzenecarbaldehyde

chloroacetone
78-95-5

chloroacetone

2-acetyl benzo[b]thiophene
22720-75-8

2-acetyl benzo[b]thiophene

Conditions
ConditionsYield
With calcium oxide In acetone at 59℃;100%
With calcium oxide for 3h; Reflux;
1,2,4-Triazole
288-88-0

1,2,4-Triazole

chloroacetone
78-95-5

chloroacetone

1-(1H-1,2,4-triazol-1-yl)propan-2-one
64882-52-6

1-(1H-1,2,4-triazol-1-yl)propan-2-one

Conditions
ConditionsYield
With potassium carbonate In acetone at 60℃; for 20h;100%
With sodium hydrogencarbonate In toluene at 110 - 120℃; for 3h; Inert atmosphere;22.2%
coenzyme A disodium salt

coenzyme A disodium salt

chloroacetone
78-95-5

chloroacetone

acetonyl-CoA
75179-85-0

acetonyl-CoA

Conditions
ConditionsYield
With N,N-dimethyl-formamide In water at 0 - 5℃; Inert atmosphere;100%
chloroacetone
78-95-5

chloroacetone

(S)-11-thioxo-2,3,11,11a-tetrahydro-1H-benzo[e]-pyrrolo[1,2-a][1,4]diazepin-5(10H)-one
188115-27-7

(S)-11-thioxo-2,3,11,11a-tetrahydro-1H-benzo[e]-pyrrolo[1,2-a][1,4]diazepin-5(10H)-one

C15H16N2O2S
1271450-06-6

C15H16N2O2S

Conditions
ConditionsYield
Stage #1: (S)-11-thioxo-2,3,11,11a-tetrahydro-1H-benzo[e]-pyrrolo[1,2-a][1,4]diazepin-5(10H)-one With sodium hydride In dimethyl sulfoxide at 20℃; for 0.5h; Inert atmosphere;
Stage #2: chloroacetone In dimethyl sulfoxide at 20℃; for 0.666667h; Inert atmosphere;
100%
2-amino-3-chloro-4-iodopyridine
1152617-24-7

2-amino-3-chloro-4-iodopyridine

chloroacetone
78-95-5

chloroacetone

8-chloro-7-iodo-2-methylimidazo[1,2-a]pyridine
1416551-60-4

8-chloro-7-iodo-2-methylimidazo[1,2-a]pyridine

Conditions
ConditionsYield
In ethanol at 65℃;100%
2,3-dimethylbromobenzene
576-23-8

2,3-dimethylbromobenzene

chloroacetone
78-95-5

chloroacetone

2-(2,3-dimethylphenyl)-2-methyloxirane
42432-45-1

2-(2,3-dimethylphenyl)-2-methyloxirane

Conditions
ConditionsYield
Stage #1: 2,3-dimethylbromobenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h;
Stage #2: chloroacetone In tetrahydrofuran; hexane; toluene at -78 - 20℃; for 1.33333h; Product distribution / selectivity;
100%
Stage #1: 2,3-dimethylbromobenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h;
Stage #2: chloroacetone In tetrahydrofuran; hexane; toluene at -78 - 20℃; Product distribution / selectivity;
100%
1H-indole-3-carbothioamide
59108-90-6

1H-indole-3-carbothioamide

chloroacetone
78-95-5

chloroacetone

4-methyl-2-(3-indolyl)thiazole
93588-10-4

4-methyl-2-(3-indolyl)thiazole

Conditions
ConditionsYield
In ethanol at 80℃; for 1.5h; Reflux;100%
C21H22N4O

C21H22N4O

chloroacetone
78-95-5

chloroacetone

C24H26N4O2

C24H26N4O2

Conditions
ConditionsYield
With potassium carbonate In dichloromethane; acetonitrile at 20℃; for 8h; Reflux;100%
With potassium carbonate In dichloromethane; acetonitrile for 8h; Reflux;100%
With potassium carbonate In dichloromethane; acetonitrile for 8h; Reflux;

Chloroacetone Consensus Reports

Reported in EPA TSCA Inventory.

Chloroacetone Standards and Recommendations

ACGIH TLV: CL 1 ppm (skin)
DOT Classification:  6.1; Label: Poison (UN 1695); DOT Class: Forbidden

Chloroacetone Specification

The Chloroacetone, also known as 2-Propanone, 1-chloro-, is an chemical compound with the formula C3H5ClO. It belongs to the product categories of Pharmaceutical Intermediates; Organics. Its EINECS registry number is 201-161-1. With the CAS registry number 78-95-5, its IUPAC name is 1-chloropropan-2-one. What's more, this chemical is a colourless to dark yellow liquid.

Physical properties of Chloroacetone: (1)ACD/LogP: 0.43; (2)ACD/LogD (pH 5.5): 0.43; (3)ACD/LogD (pH 7.4): 0.43; (4)ACD/BCF (pH 5.5): 1.24; (5)ACD/BCF (pH 7.4): 1.24; (6)ACD/KOC (pH 5.5): 40.57; (7)ACD/KOC (pH 7.4): 40.57; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.396; (11)Molar Refractivity: 20.82 cm3; (12)Molar Volume: 86.5 cm3; (13)Surface Tension: 25.7 dyne/cm; (14)Density: 1.068 g/cm3; (15)Flash Point: 27.8 °C; (16)Enthalpy of Vaporization: 35.82 kJ/mol; (17)Boiling Point: 120 °C at 760 mmHg; (18)Vapour Pressure: 15.5 mmHg at 25°C.

Preparation: this reaction will use acetone as raw materials. It will need chlorine which should be decompose produced by potassium chlorate and hydrogen chloride.

3CH3COCH3 + KClO3 + 3HCl → 3CH3COCH2Cl + KCl + 3H2O

Uses: Chloroacetone is used to make dye couplers for colour photography, and is an intermediate in chemical manufacturing. It is also used in the Feist-Benary synthesis of furans.

Chloroacetone is used in the Feist-Benary synthesis of furans

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)CCl
(2)InChI: InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3
(3)InChIKey: BULLHNJGPPOUOX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin 100uL/kg (0.1mL/kg)   Kodak Company Reports. Vol. 21MAY1971,
human LCLo inhalation 605ppm/10M (605ppm)   National Technical Information Service. Vol. PB214-270,
mouse LD50 intraperitoneal 92mg/kg (92mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 695, 1987.
mouse LD50 oral 127mg/kg (127mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: ATAXIA
American Industrial Hygiene Association Journal. Vol. 47, Pg. 375, 1986.
rabbit LD50 skin 141mg/kg (141mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
American Industrial Hygiene Association Journal. Vol. 47, Pg. 375, 1986.
rat LC50 inhalation 262ppm/1H (262ppm) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: ATAXIA
American Industrial Hygiene Association Journal. Vol. 47, Pg. 375, 1986.
rat LD50 intraperitoneal 80mg/kg (80mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 695, 1987.
rat LD50 oral 100mg/kg (100mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
American Industrial Hygiene Association Journal. Vol. 47, Pg. 375, 1986.

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