2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene

Base Information

• Chemical Name: 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene
• CAS No.: 70335-40-9
• Molecular Formula: C10H12BrCl
• Molecular Weight: 247.5593
• NSC Number: 94822
• DSSTox Substance ID: DTXSID90294158
• Wikidata: Q82033275
• Mol file: 70335-40-9.mol

Synonyms:2-bromo-4-(chloromethyl)-1,3,5-trimethylbenzene;70335-40-9;NSC94822;NCIOpen2_006130;DTXSID90294158;NSC-94822;EN300-366280

Chemical Property of 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene

Chemical Property:

• Vapor Pressure: 0.00151mmHg at 25°C
• Boiling Point: 305.2°C at 760 mmHg
• Flash Point: 162.8°C
• Density: 1.359g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 245.98109
• Heavy Atom Count: 12
• Complexity: 149

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: CC1=CC(=C(C(=C1CCl)C)Br)C

Technology Process of 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene

There total 3 articles about 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,4,6-trimethylphenyl bromide (576-83-0) → 3-bromo-2,4,6-trimethyl-benzyl chloride (70335-40-9)

Guidance literature:

With hydrogenchloride; zinc(II) chloride; at 65 - 70 ℃; Einleiten von HCl;

DOI:10.1021/ja01264a050

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,4,6-trimethylphenyl bromide (576-83-0) → 3-bromo-2,4,6-trimethyl-benzyl chloride (70335-40-9)

Guidance literature:

at 65 - 70 ℃; Einleiten von HCl;

DOI:10.1021/ja01264a050

Reference yield:

→ 3-bromo-2,4,6-trimethyl-benzyl chloride (70335-40-9)

Guidance literature:

2-Brommesitylen, Formaldehyd;

upstream raw materials:

formaldehyd

2,4,6-trimethylphenyl bromide

hydrogenchloride

Downstream raw materials:

2-(3-bromo-2,4,6-trimethyl-phenyl)-1-mesityl-propenone

3'-bromo-2,4,6,2',4',6'-hexamethyl-deoxybenzoin

(3-bromo-2,4,6-trimethyl-phenyl)-acetonitrile