2,5-Dichlorobenzyl bromide

Base Information

• Chemical Name: 2,5-Dichlorobenzyl bromide
• CAS No.: 85482-13-9
• Molecular Formula: C7H5BrCl2
• Molecular Weight: 239.927
• Hs Code.: 29039990
• European Community (EC) Number: 628-585-3
• DSSTox Substance ID: DTXSID20393027
• Nikkaji Number: J2.651.275A
• Wikidata: Q69756841
• Mol file: 85482-13-9.mol

Synonyms:2,5-Dichlorobenzyl bromide;85482-13-9;2-(bromomethyl)-1,4-dichlorobenzene;2,5-Dichlorobenzylbromide;Benzene, 2-(bromomethyl)-1,4-dichloro-;1-(Bromomethyl)-2,5-dichlorobenzene;alpha-Bromo-2,5-dichlorotoluene;MFCD00236034;2-(bromomethyl)-1,4-dichloro-benzene;SCHEMBL189771;2,5-di-chloro-benzyl bromide;UUVDOPTUDWJHFK-UHFFFAOYSA-;DTXSID20393027;UUVDOPTUDWJHFK-UHFFFAOYSA-N;2,5-Dichlorobenzyl bromide, 97%;BBL102359;CK2038;STL556159;AKOS009156558;AC-16909;AS-14263;N-(4-Aminophenethyl)-2-hydroxypropanamide;AM20041247;D3548;FT-0610310;EN300-78299;A24712;InChI=1/C7H5BrCl2/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2;a-bromo-2,5-dichlorotoluene;2-(Bromomethyl)-1,4-dichlorobenzene

Chemical Property of 2,5-Dichlorobenzyl bromide

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.022mmHg at 25°C
• Melting Point: 38-42 °C(lit.)
• Refractive Index: 1.597
• Boiling Point: 258.455 °C at 760 mmHg
• Flash Point: 125.197 °C
• PSA: 0.00000
• Density: 1.68 g/cm³
• LogP: 3.88830
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 237.89517
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98% ^*data from raw suppliers

2,5-Dichlorobenzyl Bromide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)CBr)Cl

Technology Process of 2,5-Dichlorobenzyl bromide

There total 4 articles about 2,5-Dichlorobenzyl 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:

2,5-dichlorotoluene (19398-61-9) → 2,5-dichlorobenzylbromide (85482-13-9)

Guidance literature:

With N-Bromosuccinimide;

DOI:10.1021/jm00293a008

Reference yield:

5-hydroxy-2-(2-methoxyphenyl)-1,3-dioxane + 2-(2-bromophenyl)-5-hydroxy-1,3-dioxane + ortho-anisaldehyde (135-02-4) → 2,5-dichlorobenzylbromide (85482-13-9)

Guidance literature:

In glycerol;

Reference yield:

2,5-dichlorobenzoic acid (50-79-3) → 2,5-dichlorobenzylbromide (85482-13-9)

Guidance literature:

Multi-step reaction with 2 steps

1: diborane / tetrahydrofuran / 3 h / 0 - 20 °C

2: phosphorus tribromide / dichloromethane / 1 h / 0 - 20 °C

With phosphorus tribromide; diborane; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.ejmech.2018.12.028

upstream raw materials:

2,5-dichlorotoluene

ortho-anisaldehyde

2,5-dichlorobenzoic acid

Downstream raw materials:

{4-[4-(2,5-Dichloro-benzyloxy)-benzylsulfanyl]-2-methyl-phenoxy}-acetic Acid Methyl Ester

1-(2,5-dichlorobenzyl)-2-imino-1,2-dihydropyridine-3-carboxamide hydrobromide

ethyl 2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-(1-methylethyl)-3-oxo-2,3-dihydro-4-pyridazinecarboxylate

N-(2-amino-2-oxoethyl)-6-(2,5-dichlorobenzyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Refernces

• 1、 Li, Yali,Huang, Taomin,Lou, Bin,Ye, Deyong,Qi, Xiangyu,Li, Xiaoxia,Hu, Shuang,Ding, Tingbo,Chen, Yan,Cao, Yang,Mo, Mingguang,Dong, Jibin,Wei, Min,Chu, Yong,Li, Huiti,Jiang, Xian-Cheng,Cheng, Nengneng,Zhou, Lu. "Discovery, synthesis and anti-atherosclerotic activities of a novel selective sphingomyelin synthase 2 inhibitor". . p. 864 - 882. Retrieved 2019/01/04.
• 2、 Plater, M. John. "Fullerene tectonics. Part 2. Synthesis and pyrolysis of halogenated benzo[c]phenanthrenes". . p. 2903 - 2909. Retrieved 2007/10/03.