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1,3-Dichloroacetone

CAS No.
534-07-6
Chemical Name:
1,3-Dichloroacetone
Synonyms
DCA;1,3-DICHLORO-2-PROPANONE;SYM-DICHLOROACETONE;1,3-dichloropropanone;1,3-dichloro-propan-2-one;1,3-DCA;NSC 8745;dichloroacetone;s-Dichloroacetone;,-Dichloroacetone
CBNumber:
CB3853746
Molecular Formula:
C3H4Cl2O
Molecular Weight:
126.97
MDL Number:
MFCD00000937
MOL File:
534-07-6.mol
MSDS File:
SDS
Last updated:2024-03-14 15:18:26

1,3-Dichloroacetone Properties

Melting point 43 °C
Boiling point 73 °C733.4 mm Hg(lit.)
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
Flash point 193 °F
storage temp. Refrigerator (+4°C) + Poison room
solubility alcohol: very soluble
form Crystals
color White or colorless
Specific Gravity 1.383
PH 4.2 (10g/l, H2O, 20℃)
Water Solubility 27.9 g/L (20 º C)
Merck 14,3052
BRN 605456
Dielectric constant 14.0(20℃)
CAS DataBase Reference 534-07-6(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII UFH8559WS5
NIST Chemistry Reference 1,3-Dichloro-2-propanone(534-07-6)
EPA Substance Registry System Bis(chloromethyl) ketone (534-07-6)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictogramsGHS hazard pictograms
GHS05,GHS06,GHS08
Signal word  Danger
Hazard statements  H300+H310+H330-H314-H341
Precautionary statements  P202-P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes  T+,F
Risk Statements  24-26/28-34-68-36/37/38-11
Safety Statements  26-36/37/39-45-28A-1-28-16
RIDADR  UN 3286 3/PG 2
WGK Germany  3
RTECS  UC1430000
19
TSCA  Yes
HazardClass  6.1
PackingGroup  II
HS Code  29147090
Toxicity mmo-sat 1250 ng/plate MUREAV 157,111,85
NFPA 704
1
4 1

1,3-Dichloroacetone price More Price(16)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 168548 1,3-Dichloroacetone ≥95% 534-07-6 10g $40 2023-06-20 Buy
Sigma-Aldrich 168548 1,3-Dichloroacetone ≥95% 534-07-6 50g $96.3 2023-06-20 Buy
TCI Chemical D0401 1,3-Dichloro-2-propanone >98.0%(GC) 534-07-6 25g $43 2023-06-20 Buy
TCI Chemical D0401 1,3-Dichloro-2-propanone >98.0%(GC) 534-07-6 500g $361 2023-06-20 Buy
Alfa Aesar A14149 1,3-Dichloroacetone, 96% 534-07-6 25g $43.7 2023-06-20 Buy
Product number Packaging Price Buy
168548 10g $40 Buy
168548 50g $96.3 Buy
D0401 25g $43 Buy
D0401 500g $361 Buy
A14149 25g $43.7 Buy

1,3-Dichloroacetone Chemical Properties,Uses,Production

Description

1,3-Dichloroacetone is a chemical substance with the molecular formula C3H4Cl2O. TLC has discovered that it is a metabolite of 1,3-dichloropropanol. The crystalline solid is denser than water and is not water-soluble.

Applications

1,3-Dichloroacetone is employed in the synthesis of citric acid. Additionally, it is used as an intermediate and a solvent in organic synthesis. Furthermore, 1,3-Dichloroacetone is utilized as an acceptor substrate in the cross-aldol reaction with donor substrates such as clyclohexanone, cyclopentanone, and acetone. 1,3-Dichloroacetone is also employed in the preparation of famotidine which is an active pharmaceutical ingredient.

Safety

When exposed or inhaled, 1,3-Dichloroacetone can result in damage or irritation to eyes, lungs, throat, kidney, and kidneys. It can also lead to fainting and headaches. The substance has been classified as extremely hazardous in America.

Description

Bis(chloromethyl)ketone is a crystalline solid.Molecular weight=127.02; Freezing/Melting point=45℃;Boiling point=173℃. Hazard Identification (based onNFPA-704 M Rating System): Health 3, Flammability 1,Reactivity 0. Soluble in water.

Chemical Properties

Bis(chhloromethyl)ketone is a crystalline solid.

Chemical Properties

White or colorless crystals

Uses

1,3-Dichloroacetone was used as acceptor substrate in the cross-aldol reaction with donor substrates such as acetone, cyclopentanone and cyclohexanon

Definition

ChEBI: 1,3-dichloroacetone is a ketone that is propan-2-one in which a hydrogen at positions 1 and 3 have been replaced by chloro groups. It is used in the synthesis of citric acid. Also used as a solvent and as an intermediate in organic synthesis. It is an organochlorine compound and a ketone. It is functionally related to a 1,3-dichloropropan-2-ol.

General Description

A crystalline solid. Denser than water and insoluble in water. Inhalation of dust or powder may cause adverse health reactions.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

A halogenated ketone. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.

Health Hazard

1,3-Dichloroacetone may be fatal if inhaled, swallowed or absorbed through skin. Contact may cause burns to skin and eyes. Fire may produce irritating or poisonous gases. Runoff from fire control water may give off poisonous gases. Runoff from fire control or dilution water may cause pollution.

Fire Hazard

When heated to decomposition, 1,3-Dichloroacetone emits highly toxic fumes of chlorides. 1,3-Dichloroacetone may burn but does not ignite readily. Container may explode in heat of fire.

Safety Profile

Poison by inhalation. Mutationdata reported. A systemic irritant by ingestion andinhalation routes. Dangerous; whenheated to decomposition it emits highly toxic fumes ofCl-.

Potential Exposure

Formerly extensively used in textiles (especially polyester fabrics) and still employed in polyurethane foams, textile backcoating and adhesives.

First aid

If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPRif heart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medical attention. Give large quantities of water and inducevomiting. Do not make an unconscious person vomit. Keepvictim quiet and maintain normal body temperature. Effectsmay be delayed; keep victim under observation.

storage

Color Code—Blue: Health Hazard/Poison: Store in asecure poison location. Keep away from sources of ignition.Store in a refrigerator, in a tightly closed container. Storebelow 4℃. Keep away from oxidizers, heat, flame, and sparks.Shipping: The DOT label requirement for 1,3-Dichloroacetone is “POISONOUS/TOXIC MATERIALS.” TheHazard Class is 6.1 and the Packing Group is II.[19, 20]

Shipping

UN2649 1,3-Dichloroacetone, Hazard class: 6.1; Labels: 6.1—Poisonous materials.

Purification Methods

Crystallise it from CCl4, CHCl3 or *benzene and/or distil under vacuum [Conant & Quayle Org Synth Coll Vol I 211 1941, Hall & Sirel J Am Chem Soc 74 836 1952]. It is dimorphic [Daasch & Kagarise J Am Chem Soc 77 6156 1955]. The oxime has m 130-131o, b 106o/25mm [Arzneimittel-Forsch 8 638 1958]. [Beilstein 1 IV 3219.]

DICHLOROACETONE(1,3-) 1,3-Dichloroacetone solution ,-Dichloroacetone 1,3-dichloro-2-propanon 1,3-dichloroacetona dichloroacetone s-Dichloroacetone α,α’-dichloroacetone 1,3-DICHLOROACETONE 1,3-DCA 1,1'-DICHLOROACETONE 1,3-Dichloroacetone,99% 1,3-dichloroacetone (sym.) 1,3-DICHLOROACETONE/FAMOTIDINE 1,3-DICHLOROACETONE 99% 1,3-DICHLOROACETONE 97+% 1,3-dichloroacetone(50% solution in acetone) 1,3-Dichloroacetone, typically 99% 1,3-Dichloroacetone, Typically 1,3-Dichloro-2-propanone,1,3-Dichloroacetone (sym.) 1,3 dichloroacetone solid NSC 8745 1,3-Dichloroacetone [534-07-6] at 385USD 2-Propanone, 1,3-dichloro- 2-Propanone,1,3-dichloro- acetone,1,3-dichloro alpha,gamma-Dichloroacetone Bis(chloromethyl) ketone bis(chloromethyl)ketone bischloromethylketone dichloro-1,3acetone(french) 1,3-DICHLOROACETONE, 95+% 1,3-DICHLOROACETONE SOLUTION, 50% INACET ONE, WACKER Q. 1,3-Dichloraceton 3-Dichloroacetone DCA SYM-DICHLOROACETONE 1,3-dichloro-propan-2-one 1,3-dichloropropanone 1,3-DICHLORO-2-PROPANONE 1,30Dichloroacetone Nizatidine Impurity 12 534-07-6 ClCH22CO C3H4C120 C3H4Cl2O ClCH2COCH2Cl Organic Building Blocks Ketones Building Blocks Carbonyl Compounds C3 to C6 C3 to C6 Carbonyl Compounds Ketones Miscellaneous