Benzene, 1-bromo-4-(dichloromethyl)-

Base Information

• Chemical Name: Benzene, 1-bromo-4-(dichloromethyl)-
• CAS No.: 67627-98-9
• Molecular Formula: C7H5BrCl2
• Molecular Weight: 239.927
• DSSTox Substance ID: DTXSID30448895
• Nikkaji Number: J1.043.295B
• Wikidata: Q82268090
• Mol file: 67627-98-9.mol

Synonyms:Benzene, 1-bromo-4-(dichloromethyl)-;67627-98-9;4-Bromophenyldichloromethane;SCHEMBL11045735;DTXSID30448895

Chemical Property of Benzene, 1-bromo-4-(dichloromethyl)-

Chemical Property:

• 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: 97.8

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(Cl)Cl)Br

Technology Process of Benzene, 1-bromo-4-(dichloromethyl)-

There total 8 articles about Benzene, 1-bromo-4-(dichloromethyl)- 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: 99.0%

4-bromo-benzaldehyde (1122-91-4) → p-bromo-α,α-dichlorotoluene (67627-98-9)

Guidance literature:

With boron trichloride; In hexane; for 2h; Heating;

DOI:10.1016/S0040-4039(99)02065-1

Reference yield: 91.0%

hydrazone of p-bromobenzaldehyde (57477-93-7) → p-bromo-α,α-dichlorotoluene (67627-98-9)

Guidance literature:

With pyridine; (Dichloroiodo)benzene; In dichloromethane; Inert atmosphere; Reflux;

DOI:10.1002/adsc.201700393

Reference yield: 89.0%

4-bromo-benzaldehyde (1122-91-4) + Phthaloyl dichloride (88-95-9) → phthalic anhydride (85-44-9) + p-bromo-α,α-dichlorotoluene (67627-98-9)

Guidance literature:

With 1-pyrrolidinecarboxaldehyde; In toluene; at 60 ℃; for 17h;

DOI:10.1055/s-0037-1611798

upstream raw materials:

4-bromo-benzaldehyde

para-bromotoluene

4-bromobenzenemethanol

hydrazone of p-bromobenzaldehyde

Downstream raw materials:

anti-9-<1-(p-bromophenyl)>-cis-bicyclo<6.1.0>nona-2,4,6-triene

9-<1-(p-bromophenyl)>methylenecyclooctatrienyl lithium