3-Bromo-4-fluorotoluene

Base Information

• Chemical Name: 3-Bromo-4-fluorotoluene
• CAS No.: 452-62-0
• Molecular Formula: C7H6BrF
• Molecular Weight: 189.027
• Hs Code.: 29039990
• European Community (EC) Number: 207-201-4
• NSC Number: 88313
• UNII: SNF4C42NWZ
• DSSTox Substance ID: DTXSID30196420
• Nikkaji Number: J196.149G
• Wikidata: Q72456564
• Mol file: 452-62-0.mol

Synonyms:2-bromo-1-fluoro-4-methyl-benzene;

Chemical Property of 3-Bromo-4-fluorotoluene

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 2.07mmHg at 25°C
• Refractive Index: n20/D 1.531(lit.)
• Boiling Point: 169.2 °C at 760 mmHg
• Flash Point: 73.3 °C
• PSA: 0.00000
• Density: 1.498 g/cm³
• LogP: 2.89660
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 187.96369
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-4-fluorotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)F)Br
• Uses: 3-Bromo-4-fluorotoluene was employed as starting reagent in the synthesis of [4-fluoro-3-(trimethylsilyl)benzyl]guanidine. It was also employed as benzyne precursor in the synthesis of 6-methyl-1,2,3,4-tetrahydro-2,3-(benzylidenedioxy)-1,4-ethenonapthalene.

Technology Process of 3-Bromo-4-fluorotoluene

There total 11 articles about 3-Bromo-4-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: 98.8%

→ 3-bromo-4-fluorotoluene (452-62-0)

Guidance literature:

Reference yield: 92.4%

methyl nitrite (624-91-9) + 2-bromo-p-toluidine (583-68-6) → 2-bromo-4-methylbenzenediazonium tetrafluoborate + 3-bromo-4-fluorotoluene (452-62-0)

Guidance literature:

With hydrogen fluoride; boron trifluoride; In isopropyl alcohol;

Reference yield: 92.4%

nitrous acid isobutyl ester (542-56-3) + 2-bromo-p-toluidine (583-68-6) → 3-bromo-4-fluorotoluene (452-62-0)

Guidance literature:

With hydrogen fluoride; boron trifluoride; In 1,2-dimethoxyethane;

upstream raw materials:

p-fluorotoluene

2-bromo-4-methyl-aniline; hydrochloride

p-toluidine

tetrachloromethane

Downstream raw materials:

4-dibromo-5-fluoro-2-methylbenzaldehyde

4-bromo-5-fluoro-2-methylaniline

1-bromo-2-fluoro-4-iodo-5-methylbenzene

7-methyl-3,4-diphenyl-1H-2-benzopyran-1-one

Refernces