Methyl 3-chloro-5-nitrobenzoate

Base Information

• Chemical Name: Methyl 3-chloro-5-nitrobenzoate
• CAS No.: 36138-28-0
• Molecular Formula: C8H6ClNO4
• Molecular Weight: 215.593
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID70388145
• Mol file: 36138-28-0.mol

Synonyms:methyl 3-chloro-5-nitrobenzoate;36138-28-0;MFCD01529623;METHYL3-CHLORO-5-NITROBENZOATE;3-Chloro-5-nitro-benzoic acid methyl ester;SCHEMBL583930;DTXSID70388145;UYQJTXQJNZMDBI-UHFFFAOYSA-N;STK377450;AKOS005449037;CS-W002777;PS-5658;SY024116;3-chloro-5-nitrobenzoic acid methyl ester;A874427

Chemical Property of Methyl 3-chloro-5-nitrobenzoate

Chemical Property:

• Vapor Pressure: 0.000479mmHg at 25°C
• Refractive Index: 1.568
• Boiling Point: 314 °C at 760 mmHg
• Flash Point: 143.7 °C
• PSA: 72.12000
• Density: 1.426 g/cm³
• LogP: 2.55800
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 214.9985354
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

Methyl3-chloro-5-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=CC(=C1)Cl)[N+](=O)[O-]

Technology Process of Methyl 3-chloro-5-nitrobenzoate

There total 2 articles about Methyl 3-chloro-5-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: 95.0%

methanol (67-56-1) + 3-chloro-5-nitrobenzoic acid (34662-36-7) → 3-chloro-5-nitro-benzoic acid methyl ester (36138-28-0)

Guidance literature:

With thionyl chloride; at 80 ℃; for 16h;

Reference yield:

3-amino-5-nitro-benzoic acid methyl ester (23218-93-1) → 3-chloro-5-nitro-benzoic acid methyl ester (36138-28-0)

Guidance literature:

durch Austausch von NH₂ gegen Chlor nach der Sandmeyerschen Methode;

Reference yield: 88.0%

3-chloro-5-nitro-benzoic acid methyl ester (36138-28-0) → methyl 3-amino-5-chlorobenzoate (21961-31-9)

Guidance literature:

With tin(ll) chloride; In 1,4-dioxane; at 70 ℃; for 2h;

upstream raw materials:

3-amino-5-nitro-benzoic acid methyl ester

methanol

3-chloro-5-nitrobenzoic acid

Downstream raw materials:

(3-chloro-5-nitrophenyl)methanol

methyl 3-amino-5-chlorobenzoate

Methyl 3-[(tert-butoxycarbonyl)amino]-5-chlorobenzoate

3-(3-chloro-5-nitro-phenyl)-acrylonitrile