Methyl 4-hydroxy-3,5-dinitrobenzoate

Base Information

• Chemical Name: Methyl 4-hydroxy-3,5-dinitrobenzoate
• CAS No.: 33927-05-8
• Molecular Formula: C8H6N2O7
• Molecular Weight: 242.145
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID60365182
• Wikidata: Q82149639
• Mol file: 33927-05-8.mol

Synonyms:methyl 4-hydroxy-3,5-dinitrobenzoate;33927-05-8;METHYL 3,5-DINITRO-4-HYDROXYBENZOATE;SCHEMBL5924211;DTXSID60365182;MFCD00016994;STK370819;AKOS002663265;METHYL3,5-DINITRO-4-HYDROXYBENZOATE;CS-0347202;FT-0628515;Z56869053

Chemical Property of Methyl 4-hydroxy-3,5-dinitrobenzoate

Chemical Property:

• Vapor Pressure: 7.89E-05mmHg at 25°C
• Melting Point: 108-110°C
• Refractive Index: 1.627
• Boiling Point: 331.8°Cat760mmHg
• Flash Point: 154.5°C
• PSA: 138.17000
• Density: 1.62g/cm³
• LogP: 2.04160
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 242.01750053
• Heavy Atom Count: 17
• Complexity: 310

Purity/Quality:

99%, ^*data from raw suppliers

METHYL 3,5-DINITRO-4-HYDROXYBENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]
• Uses: Methyl 3,5-Dinitro-4-hydroxybenzoate can be used to reduce a susceptibility to tumor formation.

Technology Process of Methyl 4-hydroxy-3,5-dinitrobenzoate

There total 6 articles about Methyl 4-hydroxy-3,5-dinitrobenzoate 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:

4-hydroxy-3,5-dinitrobenzoic acid (1019-52-9) → methyl 3,5-dinitro-4-hydroxybenzoate (33927-05-8)

Guidance literature:

In methanol; thionyl chloride;

Reference yield:

methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → methyl 3,5-dinitro-4-hydroxybenzoate (33927-05-8)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield:

4-hydroxy-benzoic acid (99-96-7) → methyl 3,5-dinitro-4-hydroxybenzoate (33927-05-8)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated sulfuric acid

2: nitric acid / 10 - 20 °C

With sulfuric acid; nitric acid;

upstream raw materials:

methanol

4-hydroxy-3,5-dinitrobenzoic acid

methyl 4-hydroxylbenzoate

nitric acid

Downstream raw materials:

4-(4-methoxy-phenoxy)-3,5-dinitro-benzoic acid methyl ester

4-(4-methoxy-phenoxy)-3,5-dinitro-benzoic acid

3,5-diamino-4-(4-methoxy-phenoxy)-benzoic acid methyl ester

methyl 3,5-diiodo-4-(4'-methoxyphenoxy)-benzoate