2-Bromo-3-nitrobenzaldehyde

Base Information

• Chemical Name: 2-Bromo-3-nitrobenzaldehyde
• CAS No.: 90407-21-9
• Molecular Formula: C7H4BrNO3
• Molecular Weight: 230.018
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID20523685
• Nikkaji Number: J1.238.498J
• Wikidata: Q82389949
• Mol file: 90407-21-9.mol

Synonyms:2-BROMO-3-NITROBENZALDEHYDE;90407-21-9;MFCD15527595;Benzaldehyde, 2-bromo-3-nitro-;2-bromo-3-nitro-benzaldehyde;SCHEMBL6293613;DTXSID20523685;ZAYPDOMLBUBLDN-UHFFFAOYSA-N;CL8255;AKOS015920315;CS-W005406;2-Bromo-3-nitrobenzaldehyde, AldrichCPR;DS-17129;SY047873;EN300-187989;Z1269125956

Chemical Property of 2-Bromo-3-nitrobenzaldehyde

Chemical Property:

• Boiling Point: 276.9±25.0 °C(Predicted)
• PSA: 62.89000
• Density: 1.781±0.06 g/cm3(Predicted)
• LogP: 2.69300
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.9
• 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:

98%min ^*data from raw suppliers

2-Bromo-3-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)[N+](=O)[O-])Br)C=O

Technology Process of 2-Bromo-3-nitrobenzaldehyde

There total 7 articles about 2-Bromo-3-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: 90.0%

2-bromo-3-(hydroxymethyl)-1-nitrobenzene (90407-20-8) → 2-bromo-3-nitrobenzaldehyde (90407-21-9)

Guidance literature:

With manganese(IV) oxide; In chloroform; for 9h; Ambient temperature;

Reference yield: 66.0%

2-(2-bromo-3-nitrophenyl)-1,3-oxathiolane → 2-bromo-3-nitrobenzaldehyde (90407-21-9)

Guidance literature:

With eosin Y disodium salt; In acetonitrile; at 20 ℃; for 3h; Irradiation;

DOI:10.1039/c9ob02517k

Reference yield: 39.0%

2-bromo-3-nitrotoluene (41085-43-2) → 2-bromo-3-nitrobenzaldehyde (90407-21-9)

Guidance literature:

2-bromo-3-nitrotoluene; With chromium(VI) oxide; sulfuric acid; acetic anhydride; at 0 - 20 ℃; for 4.5h;

With water;

DOI:10.1016/j.ejmech.2010.08.054

upstream raw materials:

2-bromo-3-nitrobenzoic acid chloride

2-bromo-3-(hydroxymethyl)-1-nitrobenzene

2-bromo-3-nitro-benzoic acid

anhydro-2-hydroxymercuri-3-nitrobenzoic acid

Downstream raw materials:

2-n-butylthio-3-nitrobenzaldehyde

3-nitro-2-t-butylthiobenzaldehyde

2-bromo-3-(hydroxymethyl)-1-nitrobenzene

N-(2-bromo-3-nitrobenzylidene)-4-ethylaniline

Refernces

• 1、 Tomassoli, Isabelle,Ismaili, Lhassane,Pudlo, Marc,De Los Ríos, Cristóbal,Soriano, Elena,Colmena, Inés,Gandía, Luis,Rivas, Luis,Samadi, Abdelouahid,Marco-Contelles, José,Refouvelet, Bernard. "Synthesis, biological assessment and molecular modeling of new dihydroquinoline-3-carboxamides and dihydroquinoline-3-carbohydrazide derivatives as cholinesterase inhibitors, and Ca channel antagonists". experimental part. p. 1 - 10. Retrieved 2011/02/27.
• 2、 Sienkowska, Monika,Benin, Vladimir,Kaszynski, Piotr. "Preparation and NMR analysis of 2,6-heterodifunctional halobenzenes as precursors for substituted biphenyls". . p. 165 - 173. Retrieved 2007/10/03.