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

Base Information

• Chemical Name: 1-(Bromomethyl)-2-chloro-4-nitrobenzene
• CAS No.: 42533-63-1
• Molecular Formula: C7H5BrClNO2
• Molecular Weight: 250.479
• Hs Code.: 2903998090
• European Community (EC) Number: 255-874-8
• DSSTox Substance ID: DTXSID60195325
• Nikkaji Number: J309.943A
• Wikidata: Q83068215
• Mol file: 42533-63-1.mol

Synonyms:1-(Bromomethyl)-2-chloro-4-nitrobenzene;42533-63-1;2-Chloro-4-nitrobenzyl bromide;EINECS 255-874-8;4-bromomethyl-3-chloro nitrobenzene;SCHEMBL508763;DTXSID60195325;MBLOVZIAFQVXIN-UHFFFAOYSA-N;AKOS011243262;1-bromomethyl-2-chloro-4-nitro-benzene;1-(bromomethyl)-2-chloro4-nitro-benzene;1-(Bromomethyl)-2-chloro-4-nitro-benzene;FT-0760206;EN300-59267

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

Chemical Property:

• Vapor Pressure: 0.000515mmHg at 25°C
• Refractive Index: 1.623
• Boiling Point: 322.8 °C at 760 mmHg
• Flash Point: 149 °C
• PSA: 45.82000
• Density: 1.755 g/cm³
• LogP: 3.66630
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 248.91922
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-4-nitrobenzyl bromide ^*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-])Cl)CBr

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

There total 5 articles about 1-(Bromomethyl)-2-chloro-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: 72.0%

2-chloro-4-nitrotoluene (121-86-8) → 1-(bromomethyl)-2-chloro-4-nitrobenzene (42533-63-1)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; Reflux; Inert atmosphere;

DOI:10.1021/acsmedchemlett.9b00612

Reference yield:

(2-chloro-4-nitrophenyl)methanol (52301-88-9) → 1-(bromomethyl)-2-chloro-4-nitrobenzene (42533-63-1)

Guidance literature:

(2-chloro-4-nitrophenyl)methanol; With phosphorus tribromide; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

With sodium hydrogencarbonate; In dichloromethane; Inert atmosphere;

Reference yield:

2-chloro-4-nitrotoluene (121-86-8) + naphthalene-2-boronic acid (32316-92-0) → 1-(bromomethyl)-2-chloro-4-nitrobenzene (42533-63-1)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; at 80 ℃;

upstream raw materials:

2-chloro-4-nitrotoluene

bromine

(2-chloro-4-nitrophenyl)methanol

naphthalene-2-boronic acid

Downstream raw materials:

2-chloro-4-nitrobenzaldehyde

2,2'-dichloro-4,4'-dinitro-trans-stilbene

3-chloro-p-toluidine

2-Chlor-4-nitro-benzylacetylamino-malonester

Refernces

• 1、 -. "ABELSON NON-TYROSINE KINASE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES". Page/Page column 18. . Retrieved 2020/10/28.
• 2、 Yao, Dahong,Wang, Jing,Wang, Guan,Jiang, Yingnan,Shang, Lei,Zhao, Yuqian,Huang, Jian,Yang, Shilin,Wang, Jinhui,Yu, Yamei. "Design, synthesis and biological evaluation of coumarin derivatives as novel acetylcholinesterase inhibitors that attenuate H2O2-induced apoptosis in SH-SY5Y cells". . p. 112 - 123. Retrieved 2016/08/01.