5-Bromo-4-fluoro-2-nitrobenzaldehyde

Base Information

• Chemical Name: 5-Bromo-4-fluoro-2-nitrobenzaldehyde
• CAS No.: 213382-45-7
• Molecular Formula: C7H3BrFNO3
• Molecular Weight: 248.008
• DSSTox Substance ID: DTXSID20464100
• Nikkaji Number: J1.842.916K
• Wikidata: Q82289294
• Mol file: 213382-45-7.mol

Synonyms:5-BROMO-4-FLUORO-2-NITROBENZALDEHYDE;213382-45-7;MFCD00456499;5-bromo-4-fluoro-2-nitro-benzaldehyde;Benzaldehyde, 5-bromo-4-fluoro-2-nitro-;SCHEMBL1999504;DTXSID20464100;LQFBETPMHZUCCK-UHFFFAOYSA-N;AKOS015999784;CS-W022328;AM806573;DS-17911;SY033949;BB 0262032;EN300-102625;5-Bromo-4-fluoro-2-nitrobenzaldehyde, AldrichCPR;A879151;Z1269177072

Chemical Property of 5-Bromo-4-fluoro-2-nitrobenzaldehyde

Chemical Property:

• PSA: 62.89000
• LogP: 2.83210
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 246.92803
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-4-fluoro-2-nitrobenzaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Br)F)[N+](=O)[O-])C=O

Technology Process of 5-Bromo-4-fluoro-2-nitrobenzaldehyde

There total 1 articles about 5-Bromo-4-fluoro-2-nitrobenzaldehyde 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: 81.9%

3-bromo-4-fluorobenzaldehyde (77771-02-9) → 5-bromo-4-fluoro-2-nitro-benzaldehyde (213382-45-7)

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 20 ℃; for 2h;

Reference yield: 97.3%

sodium methylate (124-41-4) + 5-bromo-4-fluoro-2-nitro-benzaldehyde (213382-45-7) → 5-bromo-4-methoxy-2-nitro-benzaldehyde

Guidance literature:

With methanol; at 20 ℃; for 8h; Cooling with ice;

Reference yield: 94.0%

3-[2-[(3R)-pyrrolidin-3-yl]oxyethoxy]benzonitrile trifluoroacetate + 5-bromo-4-fluoro-2-nitro-benzaldehyde (213382-45-7) → 3-[2-[(3R)-1-(2-bromo-4-formyl-5-nitro-phenyl)pyrrolidin-3-yl]oxyethoxy]benzonitrile

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 60 ℃; for 12h; Inert atmosphere;

upstream raw materials:

3-bromo-4-fluorobenzaldehyde

Downstream raw materials:

2-[(E)-Benzyloxyimino]-3-[3-bromo-5-(2-bromo-4-formyl-5-nitro-phenoxy)-4-methoxy-phenyl]-propionic acid ethyl ester

ethyl 6-bromo-7-fluoro-2-quinolinecarboxylate

2-amino-5-bromo-4-fluorobenzaldehyde

6-[4-({[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-7-fluoro-2-quinolinecarboxylic acid