2-Bromo-6-fluorotoluene

Base Information

• Chemical Name: 2-Bromo-6-fluorotoluene
• CAS No.: 1422-54-4
• Molecular Formula: C7H6BrF
• Molecular Weight: 189.027
• Hs Code.: 29039990
• European Community (EC) Number: 642-646-1
• DSSTox Substance ID: DTXSID80371285
• Wikidata: Q72456540
• Mol file: 1422-54-4.mol

Synonyms:2-Bromo-6-fluorotoluene;1422-54-4;1-Bromo-3-fluoro-2-methylbenzene;1-bromo-3-fluoro-2-methyl-benzene;Benzene, 1-bromo-3-fluoro-2-methyl-;MFCD00051438;2-fluoro-6-bromotoluene;6-BROMO-2-FLUOROTOLUENE;2-FLUORO-6-BROMO TOLUENE;2-bromo-6-fluoro-toluene;SCHEMBL741586;DTXSID80371285;AKOS005145624;AC-9815;CS-W002241;PS-8429;1-bromanyl-3-fluoranyl-2-methyl-benzene;BP-11099;SY016478;A3073;AM20050264;B2392;FT-0611511;EN300-23941;1-Bromo-3-fluoro-2-methylbenzene, AldrichCPR;A807878;J-508463;F8889-9258

Chemical Property of 2-Bromo-6-fluorotoluene

Chemical Property:

• Vapor Pressure: 0.00166mmHg at 25°C
• Refractive Index: 1.535
• Boiling Point: 180.2 °C at 760 mmHg
• Flash Point: 65.2 °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

2-Bromo-6-fluorotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-51-22
• Safety Statements: 26-36/37/39-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1Br)F

Technology Process of 2-Bromo-6-fluorotoluene

There total 5 articles about 2-Bromo-6-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: 100.0%

2-bromo-6-fluorobenzaldehyde hydrazone (914311-44-7) → 1-bromo-3-fluoro-2-methyl-benzene (1422-54-4)

Guidance literature:

With sodium hydrogencarbonate;

DOI:10.1021/jo0613784

Reference yield: 81.0%

2-bromo-6-fluorobenzaldehyde (360575-28-6) → 1-bromo-3-fluoro-2-methyl-benzene (1422-54-4) + 4-bromoindazole (186407-74-9)

Guidance literature:

With hydrazine hydrate; In 1,2-dimethoxyethane; for 15h; Heating;

DOI:10.1021/jo0613784

Reference yield:

2-bromo-6-fluorobenzaldehyde hydrazone (914311-44-7) → 1-bromo-3-fluoro-2-methyl-benzene (1422-54-4) + 4-bromoindazole (186407-74-9)

Guidance literature:

With potassium carbonate; hydrazine hydrate; at 90 - 100 ℃; for 5h;

DOI:10.1021/jo0613784

upstream raw materials:

3-bromo-2-methylaniline

2-bromo-6-fluorobenzaldehyde hydrazone

2-bromo-6-fluorobenzaldehyde

Downstream raw materials:

1-bromo-2-(bromomethyl)-3-fluorobenzene

1-bromo-2-methyl-3-(methylthio)benzene

1-chloro-3-(3-fluoro-2-methyl-phenyl)-propan-2-ol

1-chloro-3-(3-fluoro-2-methyl-phenyl)-propan-2-one

Refernces