3-Bromo-6-chloro-2-methoxytoluene

Base Information

• Chemical Name: 3-Bromo-6-chloro-2-methoxytoluene
• CAS No.: 83803-57-0
• Molecular Formula: C8H8 Br Cl O
• Molecular Weight: 235.508
• Hs Code.: 2909309090
• European Community (EC) Number: 280-876-0
• UNII: QW7GV23F9X
• DSSTox Substance ID: DTXSID60232668
• Wikidata: Q83113742
• Mol file: 83803-57-0.mol

Synonyms:3-Bromo-6-chloro-2-methoxytoluene;1-bromo-4-chloro-2-methoxy-3-methylbenzene;EINECS 280-876-0;55289-30-0;QW7GV23F9X;DTXSID60232668;E92231;Benzene, 1-bromo-4-chloro-2-methoxy-3-methyl-

Chemical Property of 3-Bromo-6-chloro-2-methoxytoluene

Chemical Property:

• Vapor Pressure: 0.031mmHg at 25°C
• Boiling Point: 252.3°C at 760 mmHg
• Flash Point: 106.4°C
• PSA: 9.23000
• Density: 1.492g/cm³
• LogP: 3.41950
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 233.94471
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

1-bromo-4-chloro-2-methoxy-5-methylbenzene 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1OC)Br)Cl

Technology Process of 3-Bromo-6-chloro-2-methoxytoluene

There total 4 articles about 3-Bromo-6-chloro-2-methoxytoluene 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: 88.0%

2-chloro-4-methoxy-1-methylbenzene (54788-38-4) → 1-bromo-4-chloro-2-methoxy-5-methylbenzene (83803-57-0)

Guidance literature:

With bromine; acetic acid;

DOI:10.1248/cpb.59.1369

Reference yield:

Br(1-)*C8H8ClN2O(1+) → 1-bromo-4-chloro-2-methoxy-5-methylbenzene (83803-57-0)

Guidance literature:

With hydrogen bromide; copper(I) bromide; In water;

Reference yield:

sodium methylate (124-41-4) + 3-bromo-6-chloro-4-fluoro-toluene (200190-87-0) → 1-bromo-4-chloro-2-methoxy-5-methylbenzene (83803-57-0)

Guidance literature:

In methanol; at 120 ℃; for 0.833333h; Microwave irradiation;

upstream raw materials:

2-chloro-4-methoxy-1-methylbenzene

sodium methylate

3-bromo-6-chloro-4-fluoro-toluene

methanol

Downstream raw materials:

1-bromo-(5-bromomethyl)-4-chloro-2-methoxybenzene

2-bromo-5-chloro-4-methylphenol

(4-chloro-2-hydroxy-5-methylphenyl)[3-(1,3-dioxolan-2-yl)phenyl]methanone

ethyl {7-chloro-4-[3-(1,3-dioxolan-2-yl)phenyl]-6-methyl-2-oxo-2H-chromen-3-yl}acetate

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