2,4-Dinitrobenzyl alcohol

Base Information

• Chemical Name: 2,4-Dinitrobenzyl alcohol
• CAS No.: 4836-66-2
• Molecular Formula: C7H6N2O5
• Molecular Weight: 198.135
• Hs Code.: 2906299090
• UNII: HG8U73935Q
• DSSTox Substance ID: DTXSID10197495
• Nikkaji Number: J65.997E
• Wikidata: Q83070343
• Mol file: 4836-66-2.mol

Synonyms:2,4-dinitrobenzyl alcohol

Chemical Property of 2,4-Dinitrobenzyl alcohol

Chemical Property:

• Vapor Pressure: 2.21E-06mmHg at 25°C
• Melting Point: 114-118oC(lit.)
• Boiling Point: 377.8°Cat760mmHg
• PKA: 13.02±0.10(Predicted)
• Flash Point: 171.2°C
• PSA: 111.87000
• Density: 1.56g/cm³
• LogP: 2.04170
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 198.02767130
• Heavy Atom Count: 14
• Complexity: 233

Purity/Quality:

97% ^*data from raw suppliers

2,4-DINITROBENZYL ALCOHOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CO

Technology Process of 2,4-Dinitrobenzyl alcohol

There total 11 articles about 2,4-Dinitrobenzyl alcohol 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: 94.0%

2,4-dinitrobenzaldehyde (528-75-6) → 2,4-dinitrobenzyl alcohol (4836-66-2)

Guidance literature:

With KB₃H₈; In water; at 20 ℃; for 0.0833333h; Green chemistry;

DOI:10.1039/d1cc05638g

Reference yield: 80.0%

2,4-dinitrobenzylsulfuric acid → 2,4-dinitrobenzyl alcohol (4836-66-2)

Guidance literature:

With sulfuric acid; for 4h; Heating;

DOI:10.1007/BF02465777

Reference yield: 60.0%

2,4-dinitrobenzoic acid (610-30-0) → 2,4-dinitrobenzyl alcohol (4836-66-2)

Guidance literature:

With sodium tetrahydroborate; boron trifluoride diethyl etherate; In tetrahydrofuran; at 0 - 20 ℃; for 1h;

DOI:10.1021/acs.jmedchem.0c01374

upstream raw materials:

2,4-dinitrobenzyl acetate

2,4-dinitrobenzaldehyde

2,4-dinitrotoluene

2,4-dinitrobenzyl chloride

Downstream raw materials:

Phosphoric acid 2-chloro-phenyl ester 2,4-dinitro-benzyl ester (2R,3S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-(9-phenyl-9H-xanthen-9-yloxymethyl)-tetrahydro-furan-3-yl ester

(4-amino-2-nitrophenyl)methanol

Methyl 2,3,4-tri-O-acetyl-1-O-2,4-dinitrobenzyl-β-D-glucopyranuronate

2,4-dinitrobenzyl vinyl ether