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Basic Information
CAS No.: 534-07-6
Name: 1,3-Dichloroacetone
Article Data: 91
Molecular Structure:
Molecular Structure of 534-07-6 (1,3-Dichloroacetone)
Formula: C3H4Cl2O
Molecular Weight: 126.97
Synonyms: 1,3-Dichloro-2-propanone;Bis(chloromethyl) ketone;NSC 8745;sym-Dichloroacetone;a,a'-Dichloroacetone;a,g-Dichloroacetone;
EINECS: 208-585-6
Density: 1.383
Melting Point: 43 °C
Boiling Point: 173 °C at 760 mmHg
Flash Point: 52.6 °C
Solubility: water: <0.1 mm Hg ( 20 °C)
Appearance: white or colorless crystals
Hazard Symbols: VeryT+
Risk Codes: 24-26/28-34-68-36/37/38
Safety: 26-36/37/39-45-28A
Transport Information: UN 3286 3/PG 2
PSA: 17.07000
LogP: 1.03310
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Synthetic route
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1,3-Dichloroacetone

Conditions
ConditionsYield
With potassium chloride In water at 20 - 60℃; for 0.333333h;98%
53535-68-5

bromo-3-chloro-propanone

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3-mercaptopropionitrile

A

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

B

534-07-6

1,3-Dichloroacetone

Conditions
ConditionsYield
A 94%
B n/a
...Expand
96-23-1

1,3-Dichloro-2-propanol

534-07-6

1,3-Dichloroacetone

Conditions
ConditionsYield
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

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105-39-5

chloroacetic acid ethyl ester

534-07-6

1,3-Dichloroacetone

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With diethyl ether
78-88-6

2,3-Dichloroprop-1-ene

534-07-6

1,3-Dichloroacetone

Conditions
ConditionsYield
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
ConditionsYield
beim partielle Disproportionierung;
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    1,3-Dichloroacetone

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Chemistry

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 )

Uses

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

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

Consensus Reports

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

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

Standards and Recommendations

DOT Classification:  6.1; Label: Poison