5-Bromo-2-fluorotoluene

Base Information

• Chemical Name: 5-Bromo-2-fluorotoluene
• CAS No.: 51437-00-4
• Molecular Formula: C7H6BrF
• Molecular Weight: 189.027
• Hs Code.: 29036990
• European Community (EC) Number: 257-202-9
• DSSTox Substance ID: DTXSID90199412
• Nikkaji Number: J261.722F
• Wikidata: Q72456553
• Mol file: 51437-00-4.mol

Synonyms:5-Bromo-2-fluorotoluene;51437-00-4;4-Bromo-1-fluoro-2-methylbenzene;2-Fluoro-5-Bromotoluene;Benzene, 4-bromo-1-fluoro-2-methyl-;EINECS 257-202-9;MFCD00000343;4-bromo-1-fluoro-2-methyl-benzene;2-fluoro-5-bromo-toluene;5-bromo-2-fluoro toluene;5-Bromo-2-fluoro-toluene;SCHEMBL13470;5-Bromo-2-fluorotoluene, 97%;DTXSID90199412;AC7936;4-Bromo-1-fluoro-2-methylbenzene #;AKOS000121867;AC-6886;AM62016;CS-W015978;SY016326;A7584;B1679;FT-0620092;EN300-28933;W-105893

Chemical Property of 5-Bromo-2-fluorotoluene

Chemical Property:

• Appearance/Colour: Clear, colorless liquid.
• Refractive Index: n20/D 1.529(lit.)
• Boiling Point: 180.8 °C at 760 mmHg
• Flash Point: 73.9 °C
• PSA: 0.00000
• Density: 1.498 g/cm³
• LogP: 2.89660
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility.: INSOLUBLE
• XLogP3: 3.7
• 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

5-Bromo-2-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=C(C=CC(=C1)Br)F
• Uses: 5-Bromo-2-fluorotoluene is used in the preparation of 5-bromo-2-fluorobenzyl bromide via N-bromosuccinimide (NBS) bromination, required for the synthesis of crown bromofluorobenzene and 3-(4-fuoro-3-methylphenyl)acrylamide. It is also used as an intermediates of medicine. 5-Bromo-2-fluorotoluene has been used in the preparation of:5-bromo-2-fluorobenzyl bromide via N-bromosuccinimide (NBS) bromination, required for the synthesis of crown bromofluorobenzene3-(4-fuoro-3-methylphenyl)acrylamide

Technology Process of 5-Bromo-2-fluorotoluene

There total 1 articles about 5-Bromo-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:

5-bromo-2-fluorobenzaldehyde (93777-26-5) → 5-bromo-2-fluorotoluene (51437-00-4) + 5-bromo-1H-indazole (53857-57-1)

Guidance literature:

With hydrazine; Inert atmosphere; Reflux;

DOI:10.1021/jo9006656

Reference yield: 98.0%

tri-(tert-butyl)borate (7397-43-5) + 5-bromo-2-fluorotoluene (51437-00-4) + water (7732-18-5) → 4-fluoro-3-methylphenyl boronic acid (139911-27-6)

Guidance literature:

5-bromo-2-fluorotoluene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

tri-(tert-butyl)borate; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

water; With hydrogenchloride; In tetrahydrofuran; hexane; at 20 ℃; Inert atmosphere;

DOI:10.1002/anie.201609459

Reference yield: 97.0%

5-bromo-2-fluorotoluene (51437-00-4) → 5-bromo-2-fluoro-4-nitrotoluene (208165-95-1)

Guidance literature:

5-bromo-2-fluorotoluene; With sulfuric acid; at -5 ℃; for 0.166667h;

With potassium nitrate; at 20 ℃; for 10h;

upstream raw materials:

5-bromo-2-fluorobenzaldehyde

Downstream raw materials:

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

4-fluoro-3-methylbenzaldehyde

(2-amino-phenyl)-(4-fluoro-3-methyl-phenyl)-methanone

4-(4-fluoro-3-methylphenyl)-4-hydroxy-N-Boc-piperidine

Refernces