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
IUPAC name 1,1,1-trichloropropan-2-one
Other names 1,1,1-trichloroacetone 1,1,1-trichloropropanone
Identifiers
CAS Number	918-00-3
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL3185648
ChemSpider	12926
ECHA InfoCard	100.149.432
EC Number	620-529-6
PubChem CID	13514
UNII	NW27ZG5LDA
CompTox Dashboard (EPA)	DTXSID5021679
InChI InChI=1S/C3H3Cl3O/c1-2(7)3(4,5)6/h1H3 Key: SMZHKGXSEAGRTI-UHFFFAOYSA-N
SMILES CC(=O)C(Cl)(Cl)Cl
Properties
Chemical formula	C3H3Cl3O
Molar mass	161.41 g·mol^−1
Appearance	Colourless liquid
Density	1.475 g/cm^3
Boiling point	134 °C (273 °F; 407 K)[1]
Solubility in water	slightly soluble
Solubility	Soluble in ethanol and diethyl ether
Hazards
Main hazards	Irritant
GHS pictograms
GHS Signal word	Warning
GHS hazard statements	H315, H319, H335
GHS precautionary statements	P261, P264, P271, P280, P302+352, P304+340, P305+351+338, P312, P321, P332+313, P337+313, P362, P403+233, 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

• Chloroacetone
• 1,3-Dichloroacetone
• Hexachloroacetone

References

1. https://m.chemicalbook.com/ProductChemicalPropertiesCB9175765_EN.htm
2. "Sodium Trichloroacetate". e-EROS Encyclopedia of Reagents for Organic Synthesis. 2001. doi:10.1002/047084289X.rs113.