1,3-Dichloroacetone supplier

Name
1,3-Dichloroacetone
EINECS 208-585-6
CAS No. 534-07-6
Article Data91
CAS DataBase
Density 1.383
Solubility water: <0.1 mm Hg ( 20 °C)
Melting Point 43 °C
Formula C₃H₄Cl₂O
Boiling Point 173 °C at 760 mmHg
Molecular Weight 126.97
Flash Point 52.6 °C
Transport Information UN 3286 3/PG 2
Appearance white or colorless crystals
Safety 26-36/37/39-45-28A
Risk Codes 24-26/28-34-68-36/37/38
Molecular Structure
Hazard Symbols T+
Synonyms 1,3-Dichloro-2-propanone;Bis(chloromethyl) ketone;NSC 8745;sym-Dichloroacetone;a,a'-Dichloroacetone;a,g-Dichloroacetone;
PSA 17.07000
LogP 1.03310

Synthetic route

: 816-39-7
1,3-dibromoroacetone

: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With potassium chloride In water at 20 - 60℃; for 0.333333h;	98%

: 53535-68-5
bromo-3-chloro-propanone

: 1001-58-7
3-mercaptopropionitrile

A: 1-bromo-3-(2-cyanoethylthio)propanone

B: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
	A 94% B n/a

...Expand

: 96-23-1
1,3-Dichloro-2-propanol

: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With periodic acid In acetonitrile at 20℃; for 3h; Reagent/catalyst; Solvent; Temperature;	80%
With chromic acid
With chromium(III) oxide; sulfuric acid

: 593-71-5
Chloroiodomethane

: 105-39-5
chloroacetic acid ethyl ester

: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With methyllithium; lithium bromide In tetrahydrofuran; diethyl ether at -78℃; for 0.333333h;	60%
Yield given. Multistep reaction;

: 55549-51-4
2,4-Dichlor-3-aminocrotonsaeurenitril

: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With hydrogenchloride for 72h;	58%

: 82313-45-9
(Z)-1,3-Dichlor-2,4,4-trimorpholino-1,3-butadien-1-carbonitril

: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With hydrogenchloride at 60 - 70℃; for 10h; 2) Et2O, heating;	15%

: 186581-53-3, 908094-01-9
diazomethane

: 75-44-5
phosgene

: 60-29-7
diethyl ether

: 534-07-6
1,3-Dichloroacetone

...Expand

: 186581-53-3, 908094-01-9
diazomethane

: 75-44-5
phosgene

: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With diethyl ether

: 78-88-6
2,3-Dichloroprop-1-ene

: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With hypochloric acid

: 53535-68-5
bromo-3-chloro-propanone

A: 816-39-7
1,3-dibromoroacetone

B: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
beim partielle Disproportionierung;

: 463-49-0
1,2-propanediene

: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With hypochloric acid

: 108-20-3
di-isopropyl ether

: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With chlorine at -20℃; im Licht;

: 6305-40-4
1,3-diiodopropan-2-one

: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With silver(I) chloride

: 20485-53-4
1-chloro-3-diazopropan-2-one

: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With hydrogenchloride
With hydrogenchloride In diethyl ether for 4h; Heating; Yield given;

: 67-64-1
acetone

: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With chlorine; nickel dichloride

: 67-64-1
acetone

A: 513-88-2
1,1-Dichloroacetone

B: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With iron(III) chloride at 45℃; bei der Chlorierung;
With chlorine In tetrachloromethane Product distribution; 1.) below 40 deg C, 2.) room temperature, 0.5 h;	A 67 % Chromat. B 33 % Chromat.
With chlorine; acetic acid
With hydrogenchloride; chlorine
With antimonypentachloride; chlorine

: 106-89-8
epichlorohydrin

A: 96-23-1
1,3-Dichloro-2-propanol

B: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With disulfur dichloride beim Siedetemperatur;
With disulfur dichloride

: 2881-95-0
α,α-Bis-Chlormethyl-α-hydroxy-essigsaeure-anhydrosulfit

: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
In chlorobenzene Heating;

: 463-49-0
1,2-propanediene

A: 60367-21-7
dichloride of 1-chloro-2-propene-2-phosphonic acid

B: 40632-73-3
dichloride of 2-chloro-2-propene-1-phosphonic acid

C: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With oxygen; phosphorus trichloride Product distribution;

...Expand

: 96-23-1
1,3-Dichloro-2-propanol

A: 921-03-9
1,1,3-trichloroacetone

B: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With ruthenium(IV) oxide; sodium chloride In water; ethyl acetate at 5℃; Product distribution; other organic solvents;	A 1 % Chromat. B 62 % Chromat.

: 82598-72-9
1,3-dichloro-2,2-propanediol

: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With dehydration at 25℃; Rate constant; Equilibrium constant; Thermodynamic data; ΔH(excit.), ΔS(excit.), ΔG(excit.); isotope effects;
With water In acetonitrile Equilibrium constant; various temperatures (15-46 deg C), isotope effect;

: 110-63-4
Butane-1,4-diol

: 67-64-1
acetone

A: 513-88-2
1,1-Dichloroacetone

B: 2-Chloromethyl-2-methyl-[1,3]dioxepane

C: 77416-10-5
2,2-Bis(chloromethyl)-1,3-dioxacycloheptane

D: 146774-72-3
2-dichloromethyl-2-methyl-1,3-dioxepane

E: 78-95-5
chloroacetone

F: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With chlorine Product distribution; 1.) 20-50 deg C, 2.) room temperature, 0.5 h;	A n/a B n/a C 28.3 % Chromat. D 13.8 % Chromat. E n/a F n/a

...Expand

: 110-63-4
Butane-1,4-diol

: 67-64-1
acetone

A: 513-88-2
1,1-Dichloroacetone

B: 77416-10-5
2,2-Bis(chloromethyl)-1,3-dioxacycloheptane

C: 146774-72-3
2-dichloromethyl-2-methyl-1,3-dioxepane

D: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With chlorine 1) 20-50 deg C; 2) room temp., 0.5 h; Further byproducts given. Yields of byproduct given;	A n/a B 28.3 % Chromat. C n/a D n/a

...Expand

: 67-64-1
acetone

A: 513-88-2
1,1-Dichloroacetone

B: 78-95-5
chloroacetone

C: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With hydrogenchloride at 23 - 25℃; electrochemical; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
With hydrogenchloride at 23 - 25℃; electrochemical; Yield given. Yields of byproduct given;
With hydrogenchloride at 22 - 25℃; Product distribution; function of current and concentration;

...Expand

: 106-89-8
epichlorohydrin

disulfur dichloride: disulfur dichloride

A: 96-23-1
1,3-Dichloro-2-propanol

B: 534-07-6
1,3-Dichloroacetone

...Expand

α.γ-dichloro-acetoacetic acid ester: α.γ-dichloro-acetoacetic acid ester

: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With sulfuric acid

chloro-ethoxy-acetoacetic acid ester: chloro-ethoxy-acetoacetic acid ester

: 534-07-6
1,3-Dichloroacetone

Conditions

Conditions	Yield
With hydrogenchloride

symm.glycerol chlorohydrin: symm.glycerol chlorohydrin

: 534-07-6
1,3-Dichloroacetone

: 6294-89-9
hydrazinecarboxylic acid methyl ester

: 534-07-6
1,3-Dichloroacetone

: 87595-89-9
methyl 2-[2-chloro-1-(chloromethyl)ethylidene]-1-hydrazinecarboxylate

Conditions

Conditions	Yield
In diethyl ether for 15h; Ambient temperature;	100%
In methanol at 23℃; for 4h;	54%
for 3h; Ambient temperature; Yield given;
In methanol at 23℃; for 4h;

: 534-07-6
1,3-Dichloroacetone

: O-(1-E-cinnamyl)hydroxylamine hydrochloride

: 215599-97-6
(E)-1,3-dichloroacetone O-(3-phenyl-2-propenyl)oxime

Conditions

Conditions	Yield
In methanol at 40℃; for 2h;	100%

: 534-07-6
1,3-Dichloroacetone

: 1-morpholino-3-(morpholinomethylene)thiourea

: 373602-92-7
bis-(2-morpholin-4-yl-thiazol-5-yl)-methanone

Conditions

Conditions	Yield
Stage #1: 1,3-Dichloroacetone; 1-morpholino-3-(morpholinomethylene)thiourea In acetonitrile for 2h; Heating; Stage #2: With triethylamine In acetonitrile	100%

: 534-07-6
1,3-Dichloroacetone

: 682353-67-9
1,3-diazido-propan-2-one

Conditions

Conditions	Yield
With sodium azide In acetone at 20℃;	100%
With sodium azide In acetone at 20℃; for 12h;	96%
With sodium azide In acetone at 20℃; for 12h;	96%

: 85102-68-7
2-N-piperidino-5-methyl-1,3-dithiolium-4-thiolate

: 534-07-6
1,3-Dichloroacetone

: 1,3-bis(5-methyl-2-piperidinio-1,3-dithiol-4-ylsulfanyl)propan-2-one dichloride

Conditions

Conditions	Yield
In acetone	100%

: 6258-60-2
p-methoxybenzylmercaptan

: 534-07-6
1,3-Dichloroacetone

: 1,3-bis-(4-methoxy-benzylsulfanyl)-propan-2-one

Conditions

Conditions	Yield
With sodium methylate In ethanol for 1.5h; Heating;	100%

: 2362-64-3
p-methoxythiobenzamide

: 534-07-6
1,3-Dichloroacetone

: 4-methoxy-thiobenzimidic acid 3-chloro-2-oxo-propyl ester hydrochloride

Conditions

Conditions	Yield
In acetone at 20℃; for 72h;	100%

: 78950-30-8
4-cyanobenzothioamide

: 534-07-6
1,3-Dichloroacetone

: 873009-61-1
C11H7ClN2S

Conditions

Conditions	Yield
In ethanol for 3h; Heating / reflux;	100%

: 534-07-6
1,3-Dichloroacetone

: 196811-66-2
4-(tert-butoxycarbonyl)piperazine-1-thiocarboxamide

: 4-(4-chloromethylthiazol-2-yl)piperazine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With sodium hydrogencarbonate In ethyl acetate; 1,2-dichloro-ethane	100%

: 6967-89-1
naphthalene-2-carbothioamide

: 534-07-6
1,3-Dichloroacetone

: 1094428-16-6
4-(chloromethyl)-2-(naphthalen-6-yl)thiazole

Conditions

Conditions	Yield
In ethanol Heating;	100%

: 1424835-11-9
6-fluoronaphthalene-2-carbothioamide

: 534-07-6
1,3-Dichloroacetone

: 1424835-28-8
4-(chloromethyl)-2-(2-fluoronaphthalen-6-yl)thiazole

Conditions

Conditions	Yield
In ethanol Heating;	100%

: 534-07-6
1,3-Dichloroacetone

: 122-52-1
triethyl phosphite

: 81431-81-4
3-chloro-2-<(diethoxyphosphoryl)oxy>-1-propene

Conditions

Conditions	Yield
at 100℃;	99%
In dichloromethane for 166h; Ambient temperature;	98%
at 60 - 100℃; for 3h;	98.9%
at 50℃;

: 534-07-6
1,3-Dichloroacetone

: 35433-52-4
1,3-dichloroacetone oxime

Conditions

Conditions	Yield
With sulfuric acid; hydroxylamine hydrochloride In ethanol at 20℃; for 2h; Inert atmosphere;	99%
With hydroxylamine

: 95-14-7
1,2,3-Benzotriazole

: 534-07-6
1,3-Dichloroacetone

: 1,3-bis-(benzotriazol-1-yl)propan-2-one

Conditions

Conditions	Yield
In benzene for 48h; Heating;	99%

: 617-86-7
triethylsilane

: 534-07-6
1,3-Dichloroacetone

: 7531-61-5
((1,3-dichloropropan-2-yl)oxy)triethylsilane

Conditions

Conditions	Yield
Stage #1: 1,3-Dichloroacetone With C8H10BiCl2N; C4H6AgN2(1+)*C24H12BCl8(1-) In dichloromethane-d2 at 25℃; Stage #2: triethylsilane In dichloromethane at 25℃;	99%
With C24H36AlN2O2(1+)*C24H12BCl8(1-) In benzene-d6 for 15h; Inert atmosphere; Schlenk technique; Glovebox;	98 %Spectr.

: 96-45-7
N,N'-ethylenethiourea

: 534-07-6
1,3-Dichloroacetone

: 3-(chloromethyl)-5,6-dihydroimidazo[2,1-b]thiazole hydrochloride

Conditions

Conditions	Yield
In acetonitrile at 80℃; Inert atmosphere;	99%

: 534-07-6
1,3-Dichloroacetone

: 2227-79-4
benzenecarbothioamide

: 4771-31-7
2-phenyl-4-chloromethylthiazole

Conditions

Conditions	Yield
In ethanol for 4h; Reflux;	98%
In ethanol for 2h; Reflux;	90%
Stage #1: 1,3-Dichloroacetone; benzenecarbothioamide In acetone Inert atmosphere; Reflux; Stage #2: With sulfuric acid for 0.5h; Inert atmosphere;	85%

: 534-07-6
1,3-Dichloroacetone

: 603-35-0
triphenylphosphine

: 13605-65-7
(3-chloro-2-oxopropyl)triphenylphosphonium chloride

Conditions

Conditions	Yield
In tetrahydrofuran for 24h; Reflux;	98%
In benzene at 20℃; for 6h;	98%
In tetrahydrofuran at 70℃; for 5h;	97%

: 2687-43-6
O-benzylhydoxylamine hydrochloride

: 534-07-6
1,3-Dichloroacetone

: 188125-86-2
1,3-dichloro-2-propanone O-benzyloxime

Conditions

Conditions	Yield
In ethanol Ambient temperature;	98%
In ethanol at 20℃; for 24h;	2.32 g

: 62-55-5
thioacetamide

: 534-07-6
1,3-Dichloroacetone

: 39238-07-8
4-(chloromethyl)-2-methyl-1,3-thiazole

Conditions

Conditions	Yield
In acetone	97%
at 20 - 50℃; for 20h;	93%
	92.9%

: 582-25-2
Potassium benzoate

: 534-07-6
1,3-Dichloroacetone

: 38982-27-3
1,3-Dibenzoyl-1,3-dihydroxyacetone

Conditions

Conditions	Yield
5,11,17,23,29,35-Hexa-p-tert-butyl-37,38,39,40,41,42-hexakis-(3,6,9-trioxadecyloxy)calix<6>arene In water; acetonitrile at 65℃; for 6h;	97%
With ethanol

: 126-30-7
2,2-Dimethyl-1,3-propanediol

: 534-07-6
1,3-Dichloroacetone

: 133961-12-3
2,2-bis-(chloromethyl)-5,5-dimethyl-1,3-dioxane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene Heating;	97%
With toluene-4-sulfonic acid In benzene for 19h; Heating;	97%
With toluene-4-sulfonic acid In benzene for 18h; Heating;	97%

: 72505-21-6
4-trifluoromethylbenzthioamide

: 534-07-6
1,3-Dichloroacetone

: 135873-35-7
4-chloromethyl-2-[4-(trifluoromethyl)phenyl]thiazole

Conditions

Conditions	Yield
In toluene Reflux;	97%
In toluene at 80℃; for 4h;	62%
With thionyl chloride; sodium hydrogencarbonate 1.) 1,2-dichloroethane; Multistep reaction;
In 1,2-dichloro-ethane at 130 - 140℃; for 5h; Sealed tube;

: 534-07-6
1,3-Dichloroacetone

: 603-35-0
triphenylphosphine

: 13605-66-8
1-chloro-3-(triphenylphosphoranylidene)acetone

Conditions

Conditions	Yield
Stage #1: 1,3-Dichloroacetone; triphenylphosphine In tetrahydrofuran for 4h; Heating; Stage #2: With sodium carbonate In methanol at 20℃; for 0.5h;	97%
Stage #1: 1,3-Dichloroacetone; triphenylphosphine In tetrahydrofuran for 24h; Heating; Stage #2: With sodium hydrogencarbonate In water Further stages.;	92%
In tetrahydrofuran for 24h; Heating;	91%

: 17356-08-0
thiourea

: 534-07-6
1,3-Dichloroacetone

: 4-(chloromethyl)thiazol-2-amine hydrochloride

Conditions

Conditions	Yield
In acetone at 20 - 25℃; for 72h;	97%

: 534-07-6
1,3-Dichloroacetone

: 149-73-5
trimethyl orthoformate

: 6626-57-9
1,3-dichloroacetone dimethyl acetal

Conditions

Conditions	Yield
With Amberlyst 15 In dichloromethane	96%

: 534-07-6
1,3-Dichloroacetone

: 18435-67-1
o-methoxycarbonyl-α-diazoacetophenone

: 10,10-Bis-chloromethyl-1-methoxy-11,12-dioxa-tricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one

Conditions

Conditions	Yield
With copper acetylacetonate In benzene for 1h; Heating;	96%

: 16982-21-1
ethyl 2-amino-2-thioxoacetate

: 534-07-6
1,3-Dichloroacetone

: 100960-16-5
4-(chloromethyl)thiazole-2-carboxylic acid-ethyl ester

Conditions

Conditions	Yield
In toluene at 110℃; for 2h;	96%
In ethanol Heating / reflux;	37%
In ethanol for 15h; Heating;
In toluene for 2h; Inert atmosphere; Reflux;
In toluene Reflux;

: 591-51-5
phenyllithium

: 534-07-6
1,3-Dichloroacetone

: 87234-28-4
1,3-dichloro-2-hydroxy-2-phenylpropane

Conditions

Conditions	Yield
Stage #1: phenyllithium With cerium(III) chloride In tetrahydrofuran; diethyl ether; cyclohexane at -78℃; for 0.666667h; Stage #2: 1,3-Dichloroacetone In tetrahydrofuran; diethyl ether; cyclohexane at -78℃; for 0.166667h;	96%

1,3-Dichloroacetone Chemical Properties

Bis(Chloromethyl)Ketone(534-07-6) is also named as 1,3-Dichloroacetone;1,3-dichloro-2-propanon;1,3-dichloroacetona;1,3-dichloro-propan-2-one;1,3-dichloropropanone;2-Propanone, 1,3-dichloro-;2-Propanone,1,3-dichloro-,and so on.Bis(Chloromethyl)Ketone(534-07-6) is usually a crystalline solid.
The Molecular formula of BIS(CHLOROMETHYL)KETONE(534-07-6) : C₃H₄Cl₂O
The Molecular Weight of BIS(CHLOROMETHYL)KETONE(534-07-6) : 126.97
EINECS: 208-585-6
Molecular structure:
Melting point: 43 °C
Boiling point: 73 °C733.4 mm Hg(lit.)
Flash point: 193 °F
Density: 1.383 g/mL at 25 °C(lit.)
Vapor density: 4.38 (vs air)
Vapor pressure: <0.1 mm Hg ( 20 °C)
Refractive index: 1.4400
Storage temp.: Refrigerator (+4°C) + Poison room
Water Solubility: 27.9 g/L (20°C )

1,3-Dichloroacetone Uses

Bis(Chloromethyl)Ketone(534-07-6) is quite commonly used as organic synthesis intermediates.

1,3-Dichloroacetone Toxicity Data With Reference

1.	mmo-sat 1250 ng/plate	MUREAV Mutation Research. 157 (1985),111.
2.	mma-smc 5 µg/L	MUREAV Mutation Research. 155 (1985),53.
3.	ihl-rat LC₅₀:29 mg/m3/2H	85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,44.
4.	ihl-mus LC₅₀:27 mg/m3/2H	85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,44.

RTECS: UC1430000

1,3-Dichloroacetone Consensus Reports

EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory. EPA Extremely Hazardous Substances List.

1,3-Dichloroacetone Safety Profile

Poison by inhalation. Mutation data reported. A systemic irritant by ingestion and inhalation routes.
The Hazard Codes of BIS(CHLOROMETHYL)KETONE(534-07-6) : T+
HazardClass: 6.1
The Risk Statements information of BIS(CHLOROMETHYL)KETONE(534-07-6):
24: Toxic in contact with skin
34: Causes burns
68: Possible risk of irreversible effects
26/28: Very Toxic by inhalation and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information of BIS(CHLOROMETHYL)KETONE(534-07-6) :
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37/39: Wear suitable protective clothing, gloves and eye/face protection RIDADR: UN 3286 3/PG 2
WGK Germany: 3
F: 19
PackingGroup: II
HS Code: 29147090

1,3-Dichloroacetone Standards and Recommendations

DOT Classification: 6.1; Label: Poison

Product Name

1,3-Dichloroacetone

Synthetic route

1,3-Dichloroacetone Chemical Properties

1,3-Dichloroacetone Uses

1,3-Dichloroacetone Toxicity Data With Reference

1,3-Dichloroacetone Consensus Reports

1,3-Dichloroacetone Safety Profile

1,3-Dichloroacetone Standards and Recommendations

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