4-Bromo-1,2-bis(bromomethyl)benzene

Base Information

• Chemical Name: 4-Bromo-1,2-bis(bromomethyl)benzene
• CAS No.: 69189-19-1
• Molecular Formula: C8H7Br3
• Molecular Weight: 342.856
• Hs Code.: 2903999090
• European Community (EC) Number: 821-974-0
• DSSTox Substance ID: DTXSID30500402
• Nikkaji Number: J3.077.494I
• Mol file: 69189-19-1.mol

Synonyms:4-Bromo-1,2-bis(bromomethyl)benzene;69189-19-1;MFCD16620247;1,2-bis(bromomethyl)-4-bromobenzene;Benzene, 4-bromo-1,2-bis(bromomethyl)-;SCHEMBL260670;DTXSID30500402;PJYGXPFKKAJUBG-UHFFFAOYSA-N;3,4-bis(bromomethyl)bromo-benzene;1-bromo-3,4-di(bromomethyl)benzene;AB6363;BB-017;3,4-bis(bromomethyl)-1-bromobenzene;AKOS016005172;CS-W006765;DS-4042;SY034677;FT-0732771;EN300-120940;A866893

Chemical Property of 4-Bromo-1,2-bis(bromomethyl)benzene

Chemical Property:

• PSA: 0.00000
• LogP: 4.23890
• 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: 2
• Exact Mass: 341.80774
• Heavy Atom Count: 11
• Complexity: 116

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)CBr)CBr

Technology Process of 4-Bromo-1,2-bis(bromomethyl)benzene

There total 3 articles about 4-Bromo-1,2-bis(bromomethyl)benzene 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: 95.0%

4-bromo-2-(hydroxymethyl)benzyl alcohol (171011-37-3) → 4-bromo-1,2-bis-bromomethyl-benzene (69189-19-1)

Guidance literature:

With phosphorus tribromide; In diethyl ether; at 0 ℃; for 7h; Reflux;

DOI:10.1055/s-0033-1338980

Reference yield: 25.0%

→ 4-bromo-1,2-bis-bromomethyl-benzene (69189-19-1)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 0 ℃; for 0.75h; Inert atmosphere;

Reference yield:

4-bromophthalic anhydride (86-90-8) → 4-bromo-1,2-bis-bromomethyl-benzene (69189-19-1)

Guidance literature:

Multi-step reaction with 2 steps

1: diisobutylaluminium hydride / toluene / 20 h / 20 °C / Cooling with ice; Inert atmosphere

2: phosphorus tribromide / chloroform / 4 h / 20 °C / Inert atmosphere; Cooling with ice

With phosphorus tribromide; diisobutylaluminium hydride; In chloroform; toluene;

DOI:10.1007/s11164-012-0638-2

upstream raw materials:

4-bromo-2-(hydroxymethyl)benzyl alcohol

4-bromophthalic anhydride

Downstream raw materials:

5'-bromo-4,7-dimethoxy-2,2'-spirobiindan-1-one

6'-bromo-4,7-dimethoxy-6-(2,4,5-trichloro-3,6-dimethoxybenzyl)-2,2'-spirobiindan-1-one

2-(p-toluenesulfonyl)-5-bromoisoindoline

4-bromo-1,2-bis(1,3-dimethylimidazolin-2-ylideneaminomethyl)benzene