2-(Bromomethyl)-1-fluoro-4-nitrobenzene

Base Information

• Chemical Name: 2-(Bromomethyl)-1-fluoro-4-nitrobenzene
• CAS No.: 454-15-9
• Molecular Formula: C7H5BrFNO2
• Molecular Weight: 234.025
• Hs Code.: 2904909090
• European Community (EC) Number: 813-513-7
• DSSTox Substance ID: DTXSID30438594
• Nikkaji Number: J2.170.877A
• Wikidata: Q82254382
• Mol file: 454-15-9.mol

Synonyms:454-15-9;2-(bromomethyl)-1-fluoro-4-nitrobenzene;2-Fluoro-5-nitrobenzyl bromide;2-BROMOMETHYL-1-FLUORO-4-NITROBENZENE;2-BROMOMETHYL-1-FLUORO-4-NITRO-BENZENE;Benzene,2-(bromomethyl)-1-fluoro-4-nitro-;2-FLUORO-5-NITROBENZYLBROMIDE;Benzene, 2-(bromomethyl)-1-fluoro-4-nitro-;SCHEMBL830636;DTXSID30438594;KQAKOKGCKNKARC-UHFFFAOYSA-N;MFCD07787098;AKOS014097317;FS-4280;MB05086;1-Fluoro-2-(bromomethyl)-4-nitrobenzene;2-(bromomethyl)1-fluoro-4-nitro-benzene;FT-0725718;N-a-Fmoc-N-2,2,5,7,8-pentamethylchroman;2-(bromomethyl)-1-fluoranyl-4-nitro-benzene;EN300-317206;A826792

Chemical Property of 2-(Bromomethyl)-1-fluoro-4-nitrobenzene

Chemical Property:

• Melting Point: 74-76 °C
• Boiling Point: 303.369 °C at 760 mmHg
• Flash Point: 137.273 °C
• PSA: 45.82000
• Density: 1.734 g/cm³
• LogP: 3.15200
• Storage Temp.: Sealed in dry,Room Temperature
• 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%Min ^*data from raw suppliers

2-(Bromomethyl)-1-fluoro-4-nitrobenzene ^*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-])CBr)F

Technology Process of 2-(Bromomethyl)-1-fluoro-4-nitrobenzene

There total 5 articles about 2-(Bromomethyl)-1-fluoro-4-nitrobenzene 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: 98.0%

(2-fluoro-5-nitrophenyl)methanol (63878-73-9) → 2-fluoro-5-nitrobenzyl bromide (454-15-9)

Guidance literature:

With phosphorus tribromide; In chloroform; at 37 - 60 ℃;

Reference yield: 98.0%

→ 2-fluoro-5-nitrobenzyl bromide (454-15-9)

Guidance literature:

Reference yield: 73.0%

5-nitro-2-fluorotoluene (455-88-9) → 2-fluoro-5-nitrobenzyl bromide (454-15-9)

Guidance literature:

With bromine; for 2.5h; Heating; Irradiation;

DOI:10.1021/jm00035a017

upstream raw materials:

o-fluorobenzyl bromide

5-nitro-2-fluorotoluene

(2-fluoro-5-nitrophenyl)methanol

azobisisobutyronitrile

Downstream raw materials:

diethyl-(2-fluoro-5-nitro-benzyl)-amine; hydrobromide

(7-chloro-[4]quinolyl)-(3-diethylaminomethyl-4-fluoro-phenyl)-amine; dihydrobromide

2-Fluor-5--DL-phenylalanin

Acetamino-<2-fluor-5-amino-benzyl>-malonsaeure-diethylester

Refernces

• 1、 -. "CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF". Paragraph 0453; 0466. . Retrieved 2018/02/01.
• 2、 -. "NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVING BOTH AROMATIC AND HALOGENIC SUBSTITUENTS". Paragraph 0356; 0357. . Retrieved 2014/03/24.