13313-91-2

Basic information

• Product Name: n-Propyl trichloroacetate
• Synonyms: n-Propyl trichloroacetate
• CAS NO: 13313-91-2
• Molecular Formula: C₅H₇Cl₃O₂
• Molecular Weight: 205.47
• Mol File: 13313-91-2.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 295.07°C (rough estimate)
• Flash Point: 67.6°C
• Appearance: /
• Density: 1.3221
• Vapor Pressure: 0.66mmHg at 25°C
• Refractive Index: 1.4501 (estimate)
• CAS DataBase Reference: n-Propyl trichloroacetate(CAS DataBase Reference)
• NIST Chemistry Reference: n-Propyl trichloroacetate(13313-91-2)
• EPA Substance Registry System: n-Propyl trichloroacetate(13313-91-2)

Safety Data

• Hazardous Substances Data: 13313-91-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C5H7Cl3O2/c1-2-3-10-4(9)5(6,7)8/h2-3H2,1H3

Upstream product

• 71-23-8 propan-1-ol 
• 76-03-9 trichloroacetic acid 
• 116-16-5 1,1,1,3,3,3-hexachloro-propan-2-one 
• 76-02-8 trifluoroacetyl chloride 

Downstream Products

• 1989-33-9 9H-fluorene-9-carboxylic acid 

Relevant articles and documents

Neutral Trichloroacetylations of Alcohols by Hexachloroacetone

The addition of simple alcohols in hexachloroacetone (HCA) in the presence of strong hydrogen bond acceptors (e.g., dimethylformamide) results in a high yield of the corresponding trichloroacetate (via a haloform reaction scheme).The trichloroacetylation reactions are carried out under neutral conditions, and the resultant ester can easily be separated from the reaction mixture via extraction/distillation procedures.Kinetic evidence demonstrates that the trichloroacetylation of alcohols by HCA is a stereoselective process, and further studies suggest that the catalytic role of the acceptors is of a hydrogen bonding nature.

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