2-Bromo-6-nitrobenzaldehyde

Base Information

• Chemical Name: 2-Bromo-6-nitrobenzaldehyde
• CAS No.: 20357-21-5
• Molecular Formula: C7H4 Br N O3
• Molecular Weight: 230.018
• Hs Code.: 2913000090
• European Community (EC) Number: 832-457-4
• DSSTox Substance ID: DTXSID70567716
• Nikkaji Number: J1.881.093J
• Wikidata: Q72448477
• Mol file: 20357-21-5.mol

Synonyms:2-Bromo-6-nitrobenzaldehyde;20357-21-5;Benzaldehyde, 2-bromo-6-nitro-;MFCD09040530;2-Bromo-6-nitro-benzaldehyde;SCHEMBL1619153;DTXSID70567716;WRIAMYXQKSDDRP-UHFFFAOYSA-N;BCP05759;AKOS008091662;AC-3826;AM61834;PB12583;2-Bromo-6-nitrobenzaldehyde, AldrichCPR;DS-12837;SY030192;CS-0012639;EN300-27147;A21244;W-201777;Z235345537

Chemical Property of 2-Bromo-6-nitrobenzaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 86-87oC
• Refractive Index: 1.653
• Boiling Point: 320.784°C at 760 mmHg
• Flash Point: 147.805°C
• PSA: 62.89000
• Density: 1.781
• LogP: 2.69300
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 228.93746
• Heavy Atom Count: 12
• Complexity: 192

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-6-nitrobenzaldehyde

There total 17 articles about 2-Bromo-6-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: 92.0%

2-nitro-benzaldehyde (552-89-6) → 2-bromo-6-nitrobenzaldehyde (20357-21-5)

Guidance literature:

2-nitro-benzaldehyde; With sulfuric acid; for 0.166667h; Cooling; Green chemistry;

With N-Bromosuccinimide; at 45 ℃; for 0.833333h; Irradiation; Green chemistry;

Reference yield: 89.0%

2-Bromo-6-nitrobenzylidene(p-dimethylaminophenyl)amine N-Oxide (109513-33-9) → 2-bromo-6-nitrobenzaldehyde (20357-21-5)

Guidance literature:

With sulfuric acid; for 0.5h; Ambient temperature;

Reference yield: 87.0%

(2-bromo-6-nitro-phenyl)-methanol (861106-91-4) → 2-bromo-6-nitrobenzaldehyde (20357-21-5)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 0 ℃;

DOI:10.1021/acs.joc.1c02492

upstream raw materials:

2-bromo-6-nitro-benzaldehyde-[N-(4-dimethylamino-phenyl)-oxime ]

2-Bromo-6-nitrobenzylidene(p-dimethylaminophenyl)amine N-Oxide

C₁₅H₁₄BrN₃O₃

2-bromo-6-nitrotoluene

Downstream raw materials:

(2'R)-cis-5-[2',5'-dihydro-4'-((tert-butyldiphenyl)silyl)oxy-2'-furanyl]-2-aminoquinazoline

2-amino-5-bromoquinazoline

o-Nitro-6-brom-phenyl-propiolsaeure-methylester

C₁₉H₁₃N₂O₅Br