1,1,1-Trichloroacetone

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
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/cm3
Boiling point	134 °C (273 °F; 407 K)
Solubility in water	slightly soluble
Solubility	Soluble in ethanol and diethyl ether
Hazards
	Occupational safety and health (OHS/OSH):
Main hazards	Irritant
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H315, H319, H335
Precautionary statements	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

Chemical compound

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]

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This article uses material from the Wikipedia article 1,1,1-Trichloroacetone, and is written by contributors. Text is available under a CC BY-SA 4.0 International License; additional terms may apply. Images, videos and audio are available under their respective licenses.

[1] [1]
"1,1,1-TRICHLOROACETONE CAS#: 918-00-3". m.chemicalbook.com. Archived from the original on 2022-06-17. Retrieved 2020-08-14.

[2] [2]
Taschner, Michael J. (2001). "Sodium Trichloroacetate". e-EROS Encyclopedia of Reagents for Organic Synthesis. doi:10.1002/047084289X.rs113. ISBN 0471936235.

[2]

[1]

1,1,1-Trichloroacetone

1,1,1-Trichloroacetone

See also

References

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Names

Preferred 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/cm³
Boiling point	134 °C (273 °F; 407 K)^[1]
Solubility in water	slightly soluble
Solubility	Soluble in ethanol and diethyl ether
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Irritant
GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H315, H319, H335
Precautionary statements	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