2-Fluorotoluene

Base Information

• Chemical Name: 2-Fluorotoluene
• CAS No.: 95-52-3
• Molecular Formula: C7H7F
• Molecular Weight: 110.131
• Hs Code.: 29036990
• European Community (EC) Number: 202-428-5
• NSC Number: 8859
• UN Number: 2388
• UNII: L55XKB3K7H
• DSSTox Substance ID: DTXSID7021811
• Nikkaji Number: J61.496C
• Wikidata: Q27282724
• Pharos Ligand ID: TR4D5FNUY6CQ
• ChEMBL ID: CHEMBL352215
• Mol file: 95-52-3.mol

Synonyms:2-fluorotoluene

Chemical Property of 2-Fluorotoluene

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 21 mm Hg ( 20 °C)
• Melting Point: -62 °C
• Refractive Index: n20/D 1.473(lit.)
• Boiling Point: 116.3 °C at 760 mmHg
• Flash Point: 11.4 °C
• PSA: 0.00000
• Density: 1.001 g/cm³
• LogP: 2.13410
• Storage Temp.: Flammables area
• Water Solubility.: immiscible
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 110.053178385
• Heavy Atom Count: 8
• Complexity: 70.8
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

2-Fluorotoluene >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-33-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=CC=C1F
• Uses: It is employed in organic synthesis.

Technology Process of 2-Fluorotoluene

There total 67 articles about 2-Fluorotoluene 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: 80.0%

o-fluorobenzyl bromide (446-48-0) → 2-Fluorotoluene (95-52-3) + 9,10-dihydrophenanthrene (776-35-2) + 1,2-bis(2-fluorophenyl)ethane (349-38-2)

Guidance literature:

With magnesium; at 600 ℃;

Reference yield: 73.0%

2-fluorobenzyl chloride (345-35-7) → 2-Fluorotoluene (95-52-3) + 9,10-dihydrophenanthrene (776-35-2) + 1,2-bis(2-fluorophenyl)ethane (349-38-2)

Guidance literature:

With magnesium; at 600 ℃;

Reference yield:

(2-Methylphenyl)(4'-methoxyphenyl)iodonium trifluoroacetate → ortho-methylphenyl iodide (615-37-2) + 2-Fluorotoluene (95-52-3) + para-iodoanisole (696-62-8) + methoxybenzene (100-66-3)

Guidance literature:

With cesium fluoride; In acetonitrile; at 85 ℃; for 0.666667h; GC-MS estimated relative yields;

DOI:10.1039/a802349b

upstream raw materials:

fluorobenzene

Methyl fluoride

Chlorodifluoromethane

Methyl formate

Downstream raw materials:

4-(4-fluoro-3-methyl-phenyl)-4-oxo-butyric acid

2-(3-fluoro-4-methyl-benzoyl)-benzoic acid

1-(4-fluoro-3-methylphenyl)-2,2,2-trichloroethanol

1,1,1-trichloro-2,2-bis-(4-fluoro-3-methyl-phenyl)-ethane

Refernces

• 1、 Planas, Oriol,Wang, Feng,Leutzsch, Markus,Cornella, Josep. "Fluorination of arylboronic esters enabled by bismuth redox catalysis". . p. 313 - 317. Retrieved 2020/01/28.
• 2、 Mohy El Dine, Tharwat,Sadek, Omar,Gras, Emmanuel,Perrin, David M.. "Expanding the Balz–Schiemann Reaction: Organotrifluoroborates Serve as Competent Sources of Fluoride Ion for Fluoro-Dediazoniation". supporting information. p. 14933 - 14937. Retrieved 2018/09/25.