1,2,3-Trifluoro-5-methylbenzene

Base Information

• Chemical Name: 1,2,3-Trifluoro-5-methylbenzene
• CAS No.: 284463-96-3
• Molecular Formula: C7H5F3
• Molecular Weight: 146.112
• Hs Code.: 2903998090
• DSSTox Substance ID: DTXSID60590937
• Wikidata: Q72513392
• Mol file: 284463-96-3.mol

Synonyms:3,4,5-Trifluorotoluene;284463-96-3;1,2,3-trifluoro-5-methylbenzene;MFCD03425901;1,2,3-trifluoro-5-methyl-benzene;Benzene, 1,2,3-trifluoro-5-methyl- (9CI);SCHEMBL12621;DTXSID60590937;UHIGHLGTNVYXOP-UHFFFAOYSA-N;AKOS006279761;AC-7442;AM61885;Benzene, 1,2,3-trifluoro-5-methyl-;SY290692;A19640

Chemical Property of 1,2,3-Trifluoro-5-methylbenzene

Chemical Property:

• Vapor Pressure: 14.2mmHg at 25°C
• Refractive Index: 1.437
• Boiling Point: 126.3 °C at 760 mmHg
• Flash Point: 27.4 °C
• PSA: 0.00000
• Density: 1.234 g/cm³
• LogP: 2.41230
• Storage Temp.: 2-8°C
• 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: 103

Purity/Quality:

97% ^*data from raw suppliers

1,2,3-Trifluoro-5-methylbenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)F)F)F

Technology Process of 1,2,3-Trifluoro-5-methylbenzene

There total 1 articles about 1,2,3-Trifluoro-5-methylbenzene 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:

3,4,5-trifluorobenzyl bromide (220141-72-0) → 1,2,3-trifluoro-5-methylbenzene (284463-96-3)

Guidance literature:

With triethylsilane; palladium dichloride; at 20 ℃; for 22h;

Reference yield: 85.0%

1,2,3-trifluoro-5-methylbenzene (284463-96-3) → 1,2,3-trifluoro-5-methyl-4-nitrobenzene (923032-93-3)

Guidance literature:

With sulfuric acid; nitric acid; In water; at 0 - 20 ℃; for 16h;

upstream raw materials:

3,4,5-trifluorobenzyl bromide

Downstream raw materials:

1,2,3-trifluoro-5-methyl-4-nitrobenzene