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1,3-Dichloroacetone

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1,3-Dichloroacetone Basic information
1,3-Dichloroacetone Chemical 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 Gravity1.383
  • PH4.2 (10g/l, H2O, 20℃)
  • Water Solubility 27.9 g/L (20 º C)
  • Merck 14,3052
  • BRN 605456
  • CAS DataBase Reference534-07-6(CAS DataBase Reference)
  • NIST Chemistry Reference1,3-Dichloro-2-propanone(534-07-6)
  • EPA Substance Registry SystemBis(chloromethyl) ketone (534-07-6)
Safety Information
MSDS
1,3-Dichloroacetone Usage And Synthesis
  • 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.

  • Chemical PropertiesWhite or colorless crystals
  • Chemical PropertiesBis(chhloromethyl)ketone is a crystalline solid.
  • Uses1,3-Dichloroacetone was used as acceptor substrate in the cross-aldol reaction with donor substrates such as acetone, cyclopentanone and cyclohexanon
  • General DescriptionA crystalline solid. Denser than water and insoluble in water. Inhalation of dust or powder may cause adverse health reactions.
  • Air & Water ReactionsInsoluble in water.
  • Reactivity ProfileA 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 Hazard1,3-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 HazardWhen 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 ProfilePoison by inhalation. Mutationdata reported. A systemic irritant by ingestion andinhalation routes. Dangerous; whenheated to decomposition it emits highly toxic fumes ofCl-.
  • Potential ExposureFormerly extensively used in textiles (especially polyester fabrics) and still employed in polyurethane foams, textile backcoating and adhesives.
  • ShippingUN2649 1,3-Dichloroacetone, Hazard class: 6.1; Labels: 6.1—Poisonous materials.
  • Purification MethodsCrystallise 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.]
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