4-Fluoro-2-nitrobenzyl bromide

Base Information

• Chemical Name: 4-Fluoro-2-nitrobenzyl bromide
• CAS No.: 76437-44-0
• Molecular Formula: C7H5BrFNO2
• Molecular Weight: 234.025
• Hs Code.: 2904909090
• European Community (EC) Number: 687-510-2
• DSSTox Substance ID: DTXSID10509231
• Wikidata: Q72447104
• Mol file: 76437-44-0.mol

Synonyms:4-FLUORO-2-NITROBENZYL BROMIDE;76437-44-0;1-(Bromomethyl)-4-fluoro-2-nitrobenzene;2-Nitro-4-fluorobenzyl bromide;4-FLUORO-2-NITROBENZYLBROMIDE;Benzene, 1-(bromomethyl)-4-fluoro-2-nitro-;MFCD07779495;SCHEMBL1972244;DTXSID10509231;NBRNHHKYVFAXCZ-UHFFFAOYSA-N;CL8728;AKOS005259895;1-Bromomethyl-4-fluoro-2-nitrobenzene;AC-25076;AM808198;AM808219;AS-18788;FT-0602069;EN300-84032

Chemical Property of 4-Fluoro-2-nitrobenzyl bromide

Chemical Property:

• Vapor Pressure: 0.006mmHg at 25°C
• Refractive Index: 1.
• Boiling Point: 280.767 °C at 760 mmHg
• Flash Point: 123.604 °C
• PSA: 45.82000
• Density: 1.734 g/cm³
• LogP: 3.15200
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 232.94877
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Fluoro-2-nitrobenzyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])CBr

Technology Process of 4-Fluoro-2-nitrobenzyl bromide

There total 5 articles about 4-Fluoro-2-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: 48.0%

(4-fluoro-2-nitrophenyl)methanol (1043416-40-5) → 1-(bromomethyl)-4-fluoro-2-nitrobenzene (76437-44-0)

Guidance literature:

With phosphorus tribromide; In diethyl ether; for 3h; Inert atmosphere;

DOI:10.1021/acs.orglett.9b03458

Reference yield:

(4-fluoro-3-nitrophenyl)methanol (20274-69-5) → 1-(bromomethyl)-4-fluoro-2-nitrobenzene (76437-44-0)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 20 ℃;

Reference yield:

2-nitro-4-fluorotoluene (446-10-6) + dibenzoyl peroxide (94-36-0) → 1-(bromomethyl)-4-fluoro-2-nitrobenzene (76437-44-0)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane;

upstream raw materials:

2-nitro-4-fluorotoluene

dibenzoyl peroxide

benzyl bromide

(4-fluoro-2-nitrophenyl)methanol

Downstream raw materials:

Ethyl 2-Acetamido-2-(4'-fluoro-2'-nitrobenzyl)malonate

methyl 2-((4-fluoro-2-nitrobenzyl)amino)acetate

1-(2-amino-4-fluorobenzyl)-3-(4-fluoro-3-trifluoromethyl-phenyl)-5,5-dimethylimidazolidine-2,4-dione

diethyl [4-(3-{5-fluoro-2-[3-(4-fluoro-3-trifluoromethylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-ylmethyl]phenyl}ureido)phenyl]phosphonate

Refernces

• 1、 -. "Arylchalcogenoarylalkyl-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof". Page/Page column 61. . Retrieved 2011/04/14.
• 2、 -. "Aminobenzosultam derivatives as lipoxygenase inhibitors". . . Retrieved 2008/06/13.