4-Bromo-3-nitrobenzyl bromide

Base Information

• Chemical Name: 4-Bromo-3-nitrobenzyl bromide
• CAS No.: 326595-66-8
• Molecular Formula: C7H5 Br2 N O2
• Molecular Weight: 294.93
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID10445185
• Nikkaji Number: J1.495.863K
• Wikidata: Q82263535
• Mol file: 326595-66-8.mol

Synonyms:4-Bromo-3-nitrobenzyl bromide;326595-66-8;1-bromo-4-(bromomethyl)-2-nitrobenzene;1-bromo-4-bromomethyl-2-nitro-benzene;Benzene, 1-bromo-4-(bromomethyl)-2-nitro-;4-BROMO-3-NITROBENZYLBROMIDE;SCHEMBL3073523;DTXSID10445185;PXAIZWVEYHNBLL-UHFFFAOYSA-N;BNA59566;2-Bromo-5-(bromomethyl)nitrobenzene;MFCD08059131;4-bromo-3-nitro-1-bromomethylbenzene;1-Bromo-4-bromomethyl-2-nitrobenzene;AKOS017559063;1-Bromo-2-nitro-4-(bromomethyl)benzene;AS-36533;CS-0029753;FT-0750487;EN300-117705;A913088

Chemical Property of 4-Bromo-3-nitrobenzyl bromide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.643
• Boiling Point: 325.8°Cat760mmHg
• Flash Point: 150.8°C
• PSA: 45.82000
• Density: 2.006g/cm³
• LogP: 3.77540
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 294.86665
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

98%Min ^*data from raw suppliers

1-Bromo-4-(bromomethyl)-2-nitrobenzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CBr)[N+](=O)[O-])Br

Technology Process of 4-Bromo-3-nitrobenzyl bromide

There total 4 articles about 4-Bromo-3-nitrobenzyl bromide 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-5-(bromomethyl)-1-nitrobenzene (326595-66-8)

Guidance literature:

Reference yield: 85.0%

4-Bromo-3-nitrotoluene (5326-34-1) → 2-bromo-5-(bromomethyl)-1-nitrobenzene (326595-66-8)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; UV-irradiation;

DOI:10.1021/jo0057396

Reference yield: 62.0%

(4-bromo-3-nitrophenyl)methanol (145547-97-3) → 2-bromo-5-(bromomethyl)-1-nitrobenzene (326595-66-8)

Guidance literature:

With phosphorus tribromide; In toluene; at 40 - 100 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/jm200570p

upstream raw materials:

4-Bromo-3-nitrotoluene

(4-bromo-3-nitrophenyl)methanol

4-bromo-3-nitrobenzaldehyde

Downstream raw materials:

2-bromo-5-acetoxymethylnitrobenzene

[3-amino-4-(2-methylaminomethyl-phenylsulfanyl)-phenyl]-methanol

N-methyl-2-(4'-acetoxymethyl-2'-aminophenylthio)benzylamine

2-[[4-[(acetyloxy)methyl]-2-nitrophenyl]thio]benzoic acid

Refernces

• 1、 Reddy, M. V. Ramana,Venkatapuram, Padmavathi,Mallireddigari, Muralidhar R.,Pallela, Venkat R.,Cosenza, Stephen C.,Robell, Kimberly A.,Akula, Balaiah,Hoffman, Benjamin S.,Reddy, E. Premkumar. "Discovery of a clinical stage multi-kinase inhibitor sodium (E)-2-{2-methoxy-5-[(2′,4′,6′-trimethoxystyrylsulfonyl)methyl] phenylamino}acetate (ON 01910.Na): Synthesis, structure-activity relationship, and biological activity". experimental part. p. 6254 - 6276. Retrieved 2011/11/01.
• 2、 -. "SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES". Page/Page column 65. . Retrieved 2010/02/16.