1,1,1-Trichloroacetone

1,1,1-Trichloroacetone is a chlorinated analogue of acetone with the chemical formula CH3COCCl3. It is a colourless liquid. 1,1,1-Trichloroacetone can be synthesised from chlorination of chloroacetone (1,1,3-trichloroacetone is formed as a by-product). An alternative synthesis involves the transfer of a trichloromethyl group from trichloroacetate onto acetyl chloride.[2]

1,1,1-Trichloroacetone
Names
Preferred IUPAC name
1,1,1-Trichloropropan-2-one
Other names
1,1,1-Trichloroacetone
1,1,1-Trichloropropanone
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
ECHA InfoCard 100.149.432
EC Number
  • 620-529-6
UNII
  • InChI=1S/C3H3Cl3O/c1-2(7)3(4,5)6/h1H3
    Key: SMZHKGXSEAGRTI-UHFFFAOYSA-N
  • CC(=O)C(Cl)(Cl)Cl
Properties
C3H3Cl3O
Molar mass 161.41 g·mol−1
Appearance Colourless liquid
Density 1.475 g/cm3
Boiling point 134 °C (273 °F; 407 K)[1]
slightly soluble
Solubility Soluble in ethanol and diethyl ether
Hazards
Occupational safety and health (OHS/OSH):
Main hazards
 Irritant
GHS labelling:
GHS07: Exclamation mark
Warning
H315, H319, H335
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
Flash point 64 °C (147 °F; 337 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

See also

References
  1. "1,1,1-TRICHLOROACETONE CAS#: 918-00-3". m.chemicalbook.com.
  2. "Sodium Trichloroacetate". e-EROS Encyclopedia of Reagents for Organic Synthesis. 2001. doi:10.1002/047084289X.rs113.
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