Methyl 2-chloro-6-methyl-4-nitrobenzoate

Base Information

Chemical Name:Methyl 2-chloro-6-methyl-4-nitrobenzoate
CAS No.:116621-19-3
Molecular Formula:C₉H₈ClNO₄
Molecular Weight:229.62
Hs Code.:
DSSTox Substance ID:DTXSID40557104
Wikidata:Q82438876
Mol file:116621-19-3.mol

Synonyms:Methyl 2-chloro-6-methyl-4-nitrobenzoate;116621-19-3;SCHEMBL15822385;DTXSID40557104;JROGQAPWAHKCSF-UHFFFAOYSA-N

Suppliers and Price of Methyl 2-chloro-6-methyl-4-nitrobenzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of Methyl 2-chloro-6-methyl-4-nitrobenzoate

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:229.0141854
Heavy Atom Count:15
Complexity:265

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC(=C1C(=O)OC)Cl)[N+](=O)[O-]

Technology Process of Methyl 2-chloro-6-methyl-4-nitrobenzoate

There total 3 articles about Methyl 2-chloro-6-methyl-4-nitrobenzoate 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:

: 89894-12-2
2-chloro-6-methyl-4-nitrobenzoic acid

: 116621-19-3
methyl 2-chloro-6-methyl-4-nitrobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / 2 h / Heating

2: 4.5 h / Heating

With thionyl chloride;
DOI:10.1248/cpb.39.2400