1,3-Dichloroacetone | CAS No. 534-07-6

1,3-Dichloroacetone

Basic Information

CAS Number

534-07-6

Molecular Formula

C3H4Cl2O

Molecular Weight

126.97 g/mol

AD

Basic Physical Properties

Melting Point

40.0 to 44.0 deg-C

Boiling Point

173°C

Water Solubility

27.9 g/L (20 º C)

Solubility

alcohol: very soluble

Refractive Index

1.4400

Vapor Pressure

<0.1 mmHg ( 20 °C)

C(C(=O)CCl)Cl

InChI

InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2

InChIKey

SUNMBRGCANLOEG-UHFFFAOYSA-N

LogP

1.0331000000000001

Topological Polar Surface Area

17.07 Ų

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

46.8

Safety Information

View Safety Information

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

  • sym-Dichloroacetone
  • Dichloro-1,3 acetone
  • NS00006201
  • DTXSID2021577
  • SCHEMBL30570
  • Q-200075
  • Dichloro-1,3 acetone [French]
  • 534-07-6
  • NCGC00258984-01
  • NSC-8745
  • 1,3-dichloracetone
  • 1,3-dichloro-acetone
  • 2-Propanone,3-dichloro-
  • .alpha.,.gamma.-Dichloroacetone
  • MFCD00000937
  • NSC8745
  • 4-01-00-03219 (Beilstein Handbook Reference)
  • 1,3-Dichloroacetona [Spanish]
  • .alpha.,.alpha.'-Dichloroacetone
  • 1,3-DICHLORO-PROPAN-2-ONE
  • F0001-1383
  • CHLOROMETYL-KETONE
  • 1 ,3-dichloroacetone
  • InChI=1/C3H4Cl2O/c4-1-3(6)2-5/h1-2H
  • 1.3-dichloroacetone
  • 1,3-dichloro acetone
  • 1,3-dichloro -2-propanone
  • A829568
  • DTXCID001577
  • Acetone, 1,3-dichloro
  • 1,3 dichloroacetone

MDL Number

MFCD00000937

Customs Code

29147090

FAQ

What regulatory guidelines apply to 1,3-Dichloroacetone (CAS: 534-07-6)?

1,3-Dichloroacetone (CAS: 534-07-6) falls under the hazard classification of GHS as a category 1A respiratory sensitizer. It is subject to REACH regulations in the European Union, which require registration for substances above a certain tonnage threshold. Additionally, the FDA and EPA have specific labeling and handling requirements for this compound, including proper storage and disposal to prevent health and environmental hazards.

Are there alternatives to 1,3-Dichloroacetone (CAS: 534-07-6) in synthesis?

Several alternatives to 1,3-Dichloroacetone (CAS: 534-07-6) can be used in synthesis, including acetoacetone and 1,3-dichloroacetamide. These alternatives offer similar functional groups but with different reactivity profiles, which can be beneficial depending on the specific synthetic pathway and desired product characteristics.

What is the market or research trend for 1,3-Dichloroacetone (CAS: 534-07-6)?

Research and market trends for 1,3-Dichloroacetone (CAS: 534-07-6) are primarily focused on its use in organic synthesis and as a reagent in various chemical reactions. The compound is particularly valued for its ability to form chloroacetaldehyde derivatives, which are useful in the preparation of complex organic compounds. Market trends indicate increased interest in its applications in pharmaceutical and agricultural sectors, driven by the expanding research into new chemical entities and crop protection agents.

How should waste containing 1,3-Dichloroacetone (CAS: 534-07-6) be handled?

Waste containing 1,3-Dichloroacetone (CAS: 534-07-6) should be collected in appropriate, sealed containers and stored in a well-ventilated area away from incompatible materials. The waste should be treated by incineration or other professional waste disposal methods to prevent environmental contamination. Environmental protection measures include ensuring the waste does not come into contact with water sources and implementing proper disposal protocols to comply with local and international regulations.

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