2,6-Dimethyl-3-nitrobenzoyl chloride

Base Information

• Chemical Name: 2,6-Dimethyl-3-nitrobenzoyl chloride
• CAS No.: 6307-78-4
• Molecular Formula: C9H8ClNO3
• Molecular Weight: 213.62
• NSC Number: 44279
• DSSTox Substance ID: DTXSID80286224
• Wikidata: Q82021883

Synonyms:2,6-dimethyl-3-nitrobenzoyl chloride;6307-78-4;NSC44279;DTXSID80286224;NSC-44279

Chemical Property of 2,6-Dimethyl-3-nitrobenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.000448mmHg at 25°C
• Refractive Index: 1.571
• Boiling Point: 315 °C at 760 mmHg
• Flash Point: 144.3 °C
• Density: 1.333 g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 213.0192708
• Heavy Atom Count: 14
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)[N+](=O)[O-])C)C(=O)Cl

Technology Process of 2,6-Dimethyl-3-nitrobenzoyl chloride

There total 2 articles about 2,6-Dimethyl-3-nitrobenzoyl chloride 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:

2,6-dimethyl-3-nitrobenzoic acid (6307-70-6) → 3-Nitro-2,6-dimethyl-benzoylchlorid (6307-78-4)

Guidance literature:

With thionyl chloride; for 1h; Heating;

DOI:10.1021/jm7010996

Reference yield:

→ 3-Nitro-2,6-dimethyl-benzoylchlorid (6307-78-4)

Guidance literature:

3-Nitro-2,6-dimethyl-benzoesaeure;

Reference yield: 90.0%

N2-(4-(4-methylpiperazin-1-yl)phenyl)pyrimidine-2,5-diamine (925897-77-4) + 3-Nitro-2,6-dimethyl-benzoylchlorid (6307-78-4) → C24H27N7O3 (1018070-14-8)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1021/jm7010996

upstream raw materials:

2,6-dimethyl-3-nitrobenzoic acid

Downstream raw materials:

C₂₄H₂₇N₇O₃

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