1-Bromo-2,4-dichloro-3-methylbenzene

Base Information

• Chemical Name: 1-Bromo-2,4-dichloro-3-methylbenzene
• CAS No.: 127049-87-0
• Molecular Formula: C7H5BrCl2
• Molecular Weight: 239.927
• DSSTox Substance ID: DTXSID00564197
• Wikidata: Q82448810
• Mol file: 127049-87-0.mol

Synonyms:1-Bromo-2,4-dichloro-3-methylbenzene;127049-87-0;3-Bromo-2,6-dichlorotoluene;Benzene, 1-bromo-2,4-dichloro-3-methyl-;MFCD09878179;3-bromo-2,6-dichloro-1-methylbenzene;SCHEMBL2206259;DTXSID00564197;DGAYFCFQKDUHQN-UHFFFAOYSA-N;AMY16128;CFA04987;AKOS025404321;1-bromo-2,4-dichloro-3-methyl-benzene;AS-19293;SY101612;CS-0098690;I11050;1-BROMO-2 pound not4-DICHLORO-3-METHYLBENZENE

Chemical Property of 1-Bromo-2,4-dichloro-3-methylbenzene

Chemical Property:

• Boiling Point: 258.0±35.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.645±0.06 g/cm3(Predicted)
• LogP: 4.06430
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 237.89517
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

99%, ^*data from raw suppliers

1-Bromo-2,4-dichloro-3-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1Cl)Br)Cl
• Uses: 1-Bromo-2,4-dichloro-3-methylbenzene is an intermediate used to prepare cycloalkyl lactam derivatives as 11β-HSD1 inhibitors.

Technology Process of 1-Bromo-2,4-dichloro-3-methylbenzene

There total 2 articles about 1-Bromo-2,4-dichloro-3-methylbenzene 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: 100.0%

2,6-dichlorotoluene (118-69-4) → 2,4-dichloro-3-methylbromobenzene (127049-87-0)

Guidance literature:

With bromine; iodine; iron; In tetrachloromethane; at 20 ℃; for 3.33333h;

Reference yield: 99.5%

2,6-dichlorotoluene (118-69-4) + iron (7439-89-6) → 2,4-dichloro-3-methylbromobenzene (127049-87-0)

Guidance literature:

With bromine; iodine; In tetrachloromethane; (2S)-N-methyl-1-phenylpropan-2-amine hydrate;

Reference yield: 97.0%

2,4-dichloro-3-methylbromobenzene (127049-87-0) → 1-bromo-3-(bromomethyl)-2,4-dichlorobenzene (886615-35-6)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 6h; Heating / reflux;

upstream raw materials:

2,6-dichlorotoluene

iron

Downstream raw materials:

1-bromo-3-(bromomethyl)-2,4-dichlorobenzene

Refernces

• 1、 -. "CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1". Page/Page column 38. . Retrieved 2009/05/29.