2,4,5-Trifluorotoluene

Base Information

• Chemical Name: 2,4,5-Trifluorotoluene
• CAS No.: 887267-34-7
• Molecular Formula: C₇H₅F₃
• Molecular Weight: 146.112
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID80591805
• Wikidata: Q82485671
• Mol file: 887267-34-7.mol

Synonyms:2,4,5-Trifluorotoluene;887267-34-7;1,2,4-trifluoro-5-methylbenzene;MFCD08458011;SCHEMBL823783;DTXSID80591805;AKOS005255501;AM62202;AS-30459;A19677

Chemical Property of 2,4,5-Trifluorotoluene

Chemical Property:

• Vapor Pressure: 17.2mmHg at 25°C
• Boiling Point: 121.9°C at 760 mmHg
• Flash Point: 24.1°C
• PSA: 0.00000
• Density: 1.234g/cm³
• LogP: 2.41230
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 146.03433465
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

97% ^*data from raw suppliers

2,4,5-TRIFLUOROTOLUENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1F)F)F

Technology Process of 2,4,5-Trifluorotoluene

There total 3 articles about 2,4,5-Trifluorotoluene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4,5-difluoro-2-methylaniline (875664-57-6) → 2,4,5-Trifluoro-toluene (887267-34-7)

Guidance literature:

4,5-difluoro-2-methylaniline; With tetrafluoroboric acid; sodium nitrite; In water; at -40 - 25 ℃;

at 100 - 180 ℃; for 2h; Reagent/catalyst; Temperature; Pyrolysis;

Reference yield:

1,2-dichloro-4-methyl-5-nitrobenzene (7494-45-3) → 2,4,5-Trifluoro-toluene (887267-34-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium fluoride; tetrabutylammomium bromide / sulfolane / 2 h / 75 - 80 °C

2.1: hydrogen / methanol / 3 h / 55 - 60 °C / 60006 Torr / Sealed tube

3.1: sodium nitrite; tetrafluoroboric acid / water / -40 - 25 °C

3.2: 2 h / 100 - 180 °C / Pyrolysis

With potassium fluoride; tetrafluoroboric acid; tetrabutylammomium bromide; hydrogen; sodium nitrite; In sulfolane; methanol; water;

Reference yield:

1,2-difluoro-4-methyl-5-nitrobenzene (127371-50-0) → 2,4,5-Trifluoro-toluene (887267-34-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogen / methanol / 3 h / 55 - 60 °C / 60006 Torr / Sealed tube

2.1: sodium nitrite; tetrafluoroboric acid / water / -40 - 25 °C

2.2: 2 h / 100 - 180 °C / Pyrolysis

With tetrafluoroboric acid; hydrogen; sodium nitrite; In methanol; water;

upstream raw materials:

1,2-dichloro-4-methyl-5-nitrobenzene

1,2-difluoro-4-methyl-5-nitrobenzene

4,5-difluoro-2-methylaniline