3-CHLORO-2-BUTANONE supplier

Name
3-Chloro-2-butanone
EINECS 223-834-9
CAS No. 4091-39-8
Article Data53
CAS DataBase
Density 1.055
Solubility 3 g/100 mL
Melting Point <-60°C
Formula C4H7 Cl O
Boiling Point 114-117 ºC
Molecular Weight 106.552
Flash Point 23 ºC
Transport Information UN 1224
Appearance Yellow clear liquid
Safety Moderately toxic by an unreported route. When heated to decomposition it emits toxic vapors of Cl⁻.
Risk Codes R10;R20/21/22;R36/37/38
Molecular Structure
Hazard Symbols
Synonyms (?à)-3-Chloro-2-butanone;1-Chloroethyl methyl ketone;2-Chloro-3-butanone;3-Chloro-2-butanone;3-Chlorobutanone;
PSA 17.07000
LogP 1.20270

Synthetic route

: 78-93-3
butanone

: 4091-39-8
3-chloro-2-butanone

Conditions

Conditions	Yield
With trichloroisocyanuric acid; boron trifluoride diethyl etherate for 1.5h; Ambient temperature;	58%
With hydrogenchloride; dihydrogen peroxide; copper dichloride at 35 - 78℃; for 5.25h;	12.6%
With chlorine

: 4461-41-0
2-chloro-but-2-ene

: 4091-39-8
3-chloro-2-butanone

Conditions

Conditions	Yield
With calcium hypochlorite In water at -3 - 0℃; for 2.5h;	39.5%

: 22596-46-9
2,3-dimethyl-2-nitro-oxirane

: 4091-39-8
3-chloro-2-butanone

Conditions

Conditions	Yield
With lithium chloride; boron trifluoride diethyl etherate In acetone for 2h;	34%

: 4461-41-0
2-chloro-but-2-ene

A: 10403-60-8
2,2,3-trichloro-butane

B: 7013-11-8
2,3-dichlorobut-1-ene

C: 4091-39-8
3-chloro-2-butanone

Conditions

Conditions	Yield
With chlorine; sodium hydrogencarbonate at 0℃;	A 22.7% B 17% C 20%

...Expand

: 75-07-0
acetaldehyde

: 4091-39-8
3-chloro-2-butanone

Conditions

Conditions	Yield
With chlorine in der Dampfphase;
With chlorine in der Dampfphase;

: 3135-74-8
chlorourea

: 78-93-3
butanone

A: 4091-39-8
3-chloro-2-butanone

B: 616-27-3
1-chlorobutan-2-one

Conditions

Conditions	Yield
With water

...Expand

: 78-93-3
butanone

A: 4091-39-8
3-chloro-2-butanone

B: 616-27-3
1-chlorobutan-2-one

Conditions

Conditions	Yield
With water; calcium carbonate at 70℃; beim Chlorieren;
With chlorine im Sonnenlicht;
With sulfuryl dichloride im Sonnenlicht;

: 78-93-3
butanone

A: 4091-39-8
3-chloro-2-butanone

B: 616-27-3
1-chlorobutan-2-one

C: 16714-77-5
1,3-dichlorobutan-2-one

Conditions

Conditions	Yield
beim Chlorieren;
beim Chlorieren;

...Expand

: 6203-88-9
2-acetoxy-2-butene

: 4091-39-8
3-chloro-2-butanone

Conditions

Conditions	Yield
With chlorine; dinitrogen tetraoxide In tetrachloromethane

: 15984-02-8
1-methyl-1-propenyl acetate

: 4091-39-8
3-chloro-2-butanone

Conditions

Conditions	Yield
With chlorine; dinitrogen tetraoxide In methanol; tetrachloromethane

: 513-86-0, 52217-02-4
3-hydroxy-2-butanon

: 4091-39-8
3-chloro-2-butanone

Conditions

Conditions	Yield
With pyridine; thionyl chloride

: 61628-46-4
(2-chloromethyl-3-methyl-oxiranyl)-trimethyl-silane

: 4091-39-8
3-chloro-2-butanone

Conditions

Conditions	Yield
With cesium fluoride In acetonitrile

: 71313-16-1
2-Chlor-2,3-dimethyloxiran

A: 814-79-9
3-fluoro-2-butanone

B: 4091-39-8
3-chloro-2-butanone

Conditions

Conditions	Yield
With silver tetrafluoroborate ether, -30 deg C to r.t.; Yield given. Yields of byproduct given;

: 80-59-1
Tiglic acid

A: 2-chloro-3-hydroxy-2-methyl-butyric acid

B: 4091-39-8
3-chloro-2-butanone

Conditions

Conditions	Yield
With calcium hypochlorite; water In dichloromethane for 5h;

: 563-84-8
3-chlorobutan-2-ol

: 4091-39-8
3-chloro-2-butanone

Conditions

Conditions	Yield
With ruthenium(IV) oxide; sodium chloride In water; ethyl acetate electrooxidation;

: 38002-45-8
3-bromo-1-(trimethylsilyl)-1-propyne

A: 4091-39-8
3-chloro-2-butanone

B: 131364-96-0
2-Chloro-3-methyl-4-trimethylsilanyl-hexa-4,5-dien-3-ol

Conditions

Conditions	Yield
With aluminium; mercury dichloride 1.) THF, 50 deg C, 4h, 2.) 0 deg C, 1 h; Yield given. Multistep reaction. Yields of byproduct given;

: 67-56-1
methanol

: 78-93-3
butanone

A: 77416-04-7
2-Chloro-3,3-dimethoxybutane

B: 4091-39-8
3-chloro-2-butanone

C: 77416-03-6
1-Chloro-2,2-dimethoxybutane

D: 616-27-3
1-chlorobutan-2-one

Conditions

Conditions	Yield
With chlorine Product distribution; 1.) 20-50 deg C;	A 13 % Chromat. B 32 % Chromat. C 30 % Chromat. D 25 % Chromat.

...Expand

: 4812-23-1, 27748-48-7, 27748-49-8
2-nitro-but-2-ene

: 4091-39-8
3-chloro-2-butanone

Conditions

Conditions	Yield
With titanium(III) chloride In nitromethane	100 % Chromat.

: 2211-70-3
2-chloro-but-1-ene

A: 513-86-0, 52217-02-4
3-hydroxy-2-butanon

B: 4091-39-8
3-chloro-2-butanone

C: 64-19-7
acetic acid

Conditions

Conditions	Yield
With dihydrogen peroxide; RuPcS In chloroform-d1; water at 20℃; for 8h; pH=5; Product distribution; Further Variations:; Reaction partners; Oxidation; Dechlorination;	A 5 % Spectr. B 65 % Spectr. C n/a

...Expand

2-chloro-2-methyl-acetoacetic acid ester: 2-chloro-2-methyl-acetoacetic acid ester

: 4091-39-8
3-chloro-2-butanone

Conditions

Conditions	Yield
With sulfuric acid

: 107-02-8
acrolein

methyl magnesium halide: methyl magnesium halide

A: 4091-39-8
3-chloro-2-butanone

B: 616-27-3
1-chlorobutan-2-one

Conditions

Conditions	Yield
With potassium dichromate
ueber mehrere Stufen;

...Expand

: 4461-41-0
2-chloro-but-2-ene

A: 4091-39-8
3-chloro-2-butanone

B methyl-<1.1-dichloro-ethyl>-carbinol: methyl-<1.1-dichloro-ethyl>-carbinol

Conditions

Conditions	Yield
With tetrachloromethane; water; chlorine

: 3135-74-8
chlorourea

: 7732-18-5
water

: 78-93-3
butanone

A: 4091-39-8
3-chloro-2-butanone

B: 616-27-3
1-chlorobutan-2-one

...Expand

: 7782-50-5
chlorine

: 78-93-3
butanone

A: 4091-39-8
3-chloro-2-butanone

B: 616-27-3
1-chlorobutan-2-one

Conditions

Conditions	Yield
at 70℃; bei raschem Chlorieren in Gegenwart von Wasser und Marmor;

...Expand

: 736148-37-1
3-chloro-2-hydroxy-2-methyl-butyronitrile

concentrated potassium cyanide: concentrated potassium cyanide

A: 4091-39-8
3-chloro-2-butanone

B α.α'-dimethyl-α-cyano-ethylene oxide of bp : 142-143 degree: α.α'-dimethyl-α-cyano-ethylene oxide of bp : 142-143 degree

Conditions

Conditions	Yield
higher-boiling form of 3-chloro-2-hydroxy-2-methyl-butyronitrile;

...Expand

: 736148-37-1
3-chloro-2-hydroxy-2-methyl-butyronitrile

KOH-solution: KOH-solution

A: 4091-39-8
3-chloro-2-butanone

B lower-boiling α.α'-dimethyl-α-cyano-ethylene oxide: lower-boiling α.α'-dimethyl-α-cyano-ethylene oxide

C higher-boiling α.α'-dimethyl-α-cyano-ethylene oxide: higher-boiling α.α'-dimethyl-α-cyano-ethylene oxide

Conditions

Conditions	Yield
Beim Behandeln eines Gemisches isomerer 3-Chlor-2-hydroxy-2-methyl-butyronitrile; mixtures of/the/ both forms of 3-chloro-2-hydroxy-2-methyl-butyronitrile;

...Expand

: 624-64-6
trans-2-Butene

A: 50-00-0
formaldehyd

B: 124-38-9
carbon dioxide

C: 4091-39-8
3-chloro-2-butanone

D: 75-07-0
acetaldehyde

Conditions

Conditions	Yield
With clorine; oxygen at 22.85℃; under 700 Torr; Kinetics;	A n/a B n/a C 13 % Spectr. D n/a

...Expand

: 736148-37-1
3-chloro-2-hydroxy-2-methyl-butyronitrile

concentrated potassium cyanide: concentrated potassium cyanide

A: 4091-39-8
3-chloro-2-butanone

B α.α'-dimethyl-α-cyano-ethylene oxide of bp :142-143 degree: α.α'-dimethyl-α-cyano-ethylene oxide of bp :142-143 degree

Conditions

Conditions	Yield
lower-boiling form of 3-chloro-2-hydroxy-2-methyl-butyronitrile;

...Expand

: 90196-27-3
2-(1-chloroethyl)-2-methyl-1,3-dioxane

: 4091-39-8
3-chloro-2-butanone

Conditions

Conditions	Yield
With diclazuril In tetrahydrofuran-d8; water-d2 at 19.84℃; Kinetics;

: 123979-29-3
2,6-dimethyl-1,5-dihydroxynaphthalene

: 4091-39-8
3-chloro-2-butanone

: 137517-20-5
2,6-Dimethyl-1,5-bis(2-oxo-3-butoxy)naphthalene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide Ambient temperature;	100%

: 92-69-3
4-Phenylphenol

: 4091-39-8
3-chloro-2-butanone

: 28089-74-9
3-(4-phenylphenoxy)butan-2-one

Conditions

Conditions	Yield
Stage #1: 4-Phenylphenol With 18-crown-6 ether; potassium carbonate In butanone at 20℃; for 0.5h; Inert atmosphere; Stage #2: 3-chloro-2-butanone In butanone at 20℃; for 23h; Inert atmosphere;	100%
With potassium carbonate In acetone
With potassium carbonate; potassium iodide In butanone at 20℃; for 12h;

: 622-33-3
N-benzyloxyamine

: 4091-39-8
3-chloro-2-butanone

: (E/Z)-3-chloro-2-butanone O-benzyl oxime

Conditions

Conditions	Yield
With sodium acetate In acetic acid for 1h;	100%

: 106-41-2
4-bromo-phenol

: 4091-39-8
3-chloro-2-butanone

: 3782-10-3
3-(4-bromophenoxy)butan-2-one

Conditions

Conditions	Yield
With potassium carbonate In acetone Heating / reflux;	100%
With potassium carbonate In acetonitrile Reflux;
With potassium carbonate; potassium iodide In butanone at 20℃; for 12h;

: 4091-39-8
3-chloro-2-butanone

: C5(13)CH11NSe2*C5H11N

: 402947-98-2
1-piperidine[13C]carbodiselenoic acid 1-methyl-2-oxopropyl ester

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 20℃; for 1h;	99%

: 4091-39-8
3-chloro-2-butanone

: 563-84-8
3-chlorobutan-2-ol

Conditions

Conditions	Yield
With isopropyl alcohol; zirconium(IV) oxide for 6h; Rate constant; Heating;	98%
With isopropyl alcohol; zirconium(IV) oxide for 6h; Heating;	98%
mit gaerender Hefe;

: 93-35-6
7-hydroxy-2H-chromen-2-one

: 4091-39-8
3-chloro-2-butanone

: 156006-08-5
7-((3-oxobutan-2-yl)oxy)-2H-chromen-2-one

Conditions

Conditions	Yield
With potassium carbonate; sodium iodide In acetone at 0 - 60℃;	98%
With potassium carbonate In acetone for 24h; Heating;	62%

: 113899-66-4
<13C>thiourea

: 4091-39-8
3-chloro-2-butanone

: 134486-85-4
2-amino-4,5-dimethyl<2-13C>thiazole hydrochloride

Conditions

Conditions	Yield
In ethanol for 3h; Heating;	98%

: 5428-54-6
2-methyl-5-nitrophenol

: 4091-39-8
3-chloro-2-butanone

: 203940-76-5
1-methyl-2-(1-methyl-2-oxoprop-1-yloxy)-4-nitrobenzene

Conditions

Conditions	Yield
With potassium carbonate In acetone for 10h; Heating;	98%

: 917-92-0
2,2-dimethyl-3-butyne

: 4091-39-8
3-chloro-2-butanone

: 124067-35-2
2-chloro-3,6,6-trimethyl 4-heptyn 3-ol

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane at -60 - 20℃; for 2h;	97%

: 4091-39-8
3-chloro-2-butanone

: 74853-07-9
2,4-dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl ]-phenyl]-3H-1,2,4-triazol-3-one

: 250255-72-2
2,4-dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-2-(1-methyl-2-oxopropyl)-3H-1,2,4-triazol-3-one

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide; toluene at 110℃; for 16h;	97%

: 4091-39-8
3-chloro-2-butanone

: 598-52-7
1-(methyl)-thiourea

: 118871-92-4
(4,5-dimethyl-thiazol-2-yl)-methyl-amine; hydrochloride

Conditions

Conditions	Yield
In ethanol for 12h; Reflux;	97%

: 63839-83-8
1-hydroxy-9-methyl-3-pentyl-6H-dibenzopyran-6-one

: 4091-39-8
3-chloro-2-butanone

: 91022-23-0
9-methyl-1-(1-methyl-2-oxopropoxy)-3-pentyldibenzopyran-6-one

Conditions

Conditions	Yield
With potassium carbonate In acetone for 24h; Heating;	96%

: 140-89-6
potassium ethyl xanthogenate

: 4091-39-8
3-chloro-2-butanone

: 50708-35-5
O-ethyl S-(3-oxobutan-2-yl) dithiocarbonate

Conditions

Conditions	Yield
In acetone at 20℃;	96%
In acetone at 20℃; for 2h;

: 4091-39-8
3-chloro-2-butanone

: 693-02-7
hex-1-yne

: 124067-34-1
2-chloro 3-methyl 4-nonyne 3-ol

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane at -60 - 20℃; for 2h;	96%

: 4091-39-8
3-chloro-2-butanone

: 882-33-7
diphenyldisulfane

: 13023-53-5, 132187-18-9, 132187-19-0
3-phenylsulfanyl-butan-2-one

Conditions

Conditions	Yield
With borohydride exchange resin In methanol 1.) reflux, 1 h, 2.) r.t., 1 h;	96%

: 4091-39-8
3-chloro-2-butanone

: 78-93-3
butanone

Conditions

Conditions	Yield
With sodium chloride; tin(ll) chloride In tetrahydrofuran; water for 2h; Heating; further sodium halides or pseudo-halides and metal halides;	96%
With sodium tetrahydroborate; tin(ll) chloride In tetrahydrofuran for 2h; Heating;	93%
With sodium iodide; tin(ll) chloride In tetrahydrofuran; water for 2h; Heating;	91%

: 433703-81-2
methyl 2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate

: 4091-39-8
3-chloro-2-butanone

: 664365-88-2
methyl 2-[4,8-dimethyl-7-(1-methyl-2-oxopropoxy)-2-oxo-2H-3-chromenyl]acetate

Conditions

Conditions	Yield
With potassium carbonate In acetone at 50 - 56℃; Williamson reaction;	96%

: 4091-39-8
3-chloro-2-butanone

: 84338-83-0
ethyl 7-chloro-6-fluoro-4-hydroxy-2-mercaptoquinoline-3-carboxylate

: ethyl 7-chloro-6-fluoro-4-oxo-2-(2-oxobutyl-3-thio)-1,4-dihydroquinoline-3-carboxylate

Conditions

Conditions	Yield
With sodium In ethanol; water	96%

: 1071137-23-9
(R,S)-7,8-dimethoxy-4-methyl-1-(4-nitrophenyl)-3-thiocarbamoyl-4,5-dihydro-3H-[2,3]benzodiazepine

: 4091-39-8
3-chloro-2-butanone

: 1071130-52-3
C23H24N4O4S

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 40 - 70℃; for 1.5 - 4h;	96%

: 4091-39-8
3-chloro-2-butanone

: 849179-93-7
N2-(7-chloroquinolin-4-yl)propane-1,2-diamine

: 3-(2-(7-chloroquinolin-4-ylamino)propylamino)butan-2-one

Conditions

Conditions	Yield
In acetone at 80 - 130℃;	95.78%

: 4091-39-8
3-chloro-2-butanone

: 10387-40-3
potassium thioacetate

: 61323-21-5
3-acetylthio-2-butanone

Conditions

Conditions	Yield
In acetone for 20h; Ambient temperature;	95%
In N,N-dimethyl-formamide for 3h;

: 4091-39-8
3-chloro-2-butanone

: 1074-82-4
potassium phtalimide

: 2028-33-3
2-(1-methyl-2-oxo-propyl)-isoindole-1,3-dione

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 20 - 25℃; for 8h; Temperature;	95%
In N,N-dimethyl-formamide at 20℃;
In N,N-dimethyl-formamide at 20℃; for 3h;
In N,N-dimethyl-formamide at 20℃;

potassium thiocyanate-silica gel: potassium thiocyanate-silica gel

: 4091-39-8
3-chloro-2-butanone

: 57308-65-3
3-thiocyanobutan-2-one

Conditions

Conditions	Yield
In toluene at 80℃; for 6h;	95%

: 4091-39-8
3-chloro-2-butanone

: 75-08-1
ethanethiol

: 19170-22-0
3-(ethylthio)-2-butanone

Conditions

Conditions	Yield
Stage #1: ethanethiol With sodium methylate In methanol at 0 - 5℃; for 0.166667h; deprotonation; Stage #2: 3-chloro-2-butanone In methanol at 20℃; for 1h; Substitution;	94%
With sodium In ethanol	47%
With sodium hydroxide In ethanol

: 3424-93-9
4-methoxyphenylacetamide

: 4091-39-8
3-chloro-2-butanone

: 124811-80-9
2-(4-methoxy-phenyl)-4,5-dimethyl-oxazole

Conditions

Conditions	Yield
With silver(I) trifluoromethoxide In ethyl acetate at 50℃; for 24h; Darkness;	94%
at 115℃; for 15h;	42%

: 150-19-6
O-methylresorcine

: 4091-39-8
3-chloro-2-butanone

: 93351-44-1
3-(3-methoxyphenyloxy)-butan-2-one

Conditions

Conditions	Yield
With potassium carbonate In acetone for 24h; Heating;	93%
With potassium carbonate; acetone
With potassium carbonate

: 4091-39-8
3-chloro-2-butanone

: 134811-54-4
ethyl 7-(aminothioxomethyl)-6-chloro-1-ethyl-1,4-dihydro-4-oxoquinoline-3-carboxylate

: 134811-76-0
6-Chloro-7-(4,5-dimethyl-thiazol-2-yl)-1-ethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 100℃;	93%

: 4091-39-8
3-chloro-2-butanone

: 2978-58-7
1,1-dimethylprop-3-ynylamine

: 124067-31-8
6-amino-2-chloro-3,6-dimethyl-4-heptyn 3-ol

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane at -60 - 20℃; for 2h;	93%

: 4091-39-8
3-chloro-2-butanone

: 246540-39-6
allyl bromomethanesulfonamide

: 1-(2-allyl-3-methyl-1,1-dioxo-1λ6-[1,2]thiazetidin-3-yl)-ethanone

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 168h;	93%

3-CHLORO-2-BUTANONE Chemical Properties

Molecular Formula: C₄H₇ClO
Molecular Weight: 106.55
Flash point: 23 ºC
EINECS: 223-834-9
Melting Point: <-60°C
Storage temp: Flammables area
Water solubility: 3 g/100 mL
Refractive index: 1.42-1.422
CAS Registry Number: 4091-39-8
IUPAC Name: 3-chlorobutan-2-one
Density: 1.055 g/mL at 25 °C(lit.)
Boiling Point: 114.7 °C at 760 mmHg
Vapour Pressure: 19.7 mmHg at 25°C
Appearance: clear yellow to brownish liquid
Stability of 3-Chloro-2-butanone (CAS NO.4091-39-8): Stable under normal temperatures and pressures.
Synonyms: 2-Chloro-3-butanone ; 1-Chloroethyl methyl ketone ; 1-Acetyl-1-chloroethane ; 3-Chloro-2-butanone ; 3-Chlorobutanone ; 3-CL-MEK ; 3-Chloro-2-oxobutane~Methyl alpha-chloroethyl ketone
Following is the molecular structure of 3-Chloro-2-butanone (CAS NO.4091-39-8):

3-CHLORO-2-BUTANONE Toxicity Data With Reference

unr-mus LD50:810 mg/kg

TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown(2),1996,34.

3-CHLORO-2-BUTANONE Safety Profile

Moderately toxic by an unreported route. When heated to decomposition it emits toxic vapors of Cl⁻.
Safety Information of 3-Chloro-2-butanone (CAS NO.4091-39-8):
Hazard Codes: Xn Harmful
Risk Statements: 10-22-36/37/38-20/21/22
R10: Flammable.
R22: Harmful if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 16-36/37/39-26
S16: Keep away from sources of ignition.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 1224 3/PG 3
WGK Germany: 3
RTECS: EL7062000
HazardClass: 3
PackingGroup: III
HS Code: 29147090

Product Name

3-Chloro-2-butanone

Synthetic route

3-CHLORO-2-BUTANONE Chemical Properties

3-CHLORO-2-BUTANONE Toxicity Data With Reference

3-CHLORO-2-BUTANONE Safety Profile

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