123812-85-1

Basic information

• Product Name: 1,1,2-TRIFLUORO-1,3-PENTADIENE
• Synonyms: 1,1,2-TRIFLUORO-1,3-PENTADIENE;5,5,5-trifluoro-1,3-pentadiene(trans)
• CAS NO: 123812-85-1
• Molecular Formula: C5H5F3
• Molecular Weight: 122.09
• Mol File: 123812-85-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 45-46°C
• Appearance: /
• CAS DataBase Reference: 1,1,2-TRIFLUORO-1,3-PENTADIENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,2-TRIFLUORO-1,3-PENTADIENE(123812-85-1)
• EPA Substance Registry System: 1,1,2-TRIFLUORO-1,3-PENTADIENE(123812-85-1)

Safety Data

• Statements: 10
• Safety Statements: 16
• RIDADR: 1993
• Hazardous Substances Data: 123812-85-1(Hazardous Substances Data)

Usage

General Description

1,1,2-Trifluoro-1,3-pentadiene is a chemical compound with the molecular formula C5H5F3. It is a colorless liquid that is used in the manufacturing of pharmaceuticals and agrochemicals. 1,1,2-Trifluoro-1,3-pentadiene is also used as a building block in the synthesis of various organic compounds. It is classified as a flammable liquid and should be handled with caution due to its potential to form explosive peroxides upon prolonged exposure to air. The compound is also known to be a skin and eye irritant, and exposure should be avoided.

Upstream product

• 123812-84-0 3-(trifluromethyl)cyclobutene 
• 123812-86-2 (Z)-5,5,5-trifluoro-1,3-pentadiene 

Relevant articles and documents

Kinetic and thermodynamic effects in the thermal electrocyclic ring-openings of 3-fluorocyclobutene, 3,3-difluorocyclobutene, and 3-(trifluoromethyl)cyclobutene

The synthesis and thermal electrocyclic ring-opening of 3-fluorocylobutane, 4, 3,3-difluorocyclobutane, 5, and 3-(trifluoromethyl)cyclobutane, 6, are reported. Activation energies for their ring-openings were found to be 28.1, 45.0, and 36.3 kcal/mol, respectively. 6 was found to form both the (E)- and the (Z)-5,5,5-trifluoro-1,3,butadienes, in a 95:5 ratio. Thermal equilibrations of the diene products from 4 and 6 were also carried out. The results demonstrate that a CF3 group exhibits only a slight preference for outward rotation (ΔE(a) = 1.2 kcal/mol), while a fluorine substituent gives rise to a much more dramatic outward rotational preference (ΔE(a) = 13.8 kcal/mol). These results were consistent with those previously reported for perfluorinated systems and with theoretical expectations.