(4-Amino-2-nitrophenyl)methanol

Base Information

• Chemical Name: (4-Amino-2-nitrophenyl)methanol
• CAS No.: 22996-17-4
• Molecular Formula: C7H8N2O3
• Molecular Weight: 168.152
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID70177536
• Nikkaji Number: J65.961D
• Wikidata: Q83047863
• Mol file: 22996-17-4.mol

Synonyms:(4-amino-2-nitrophenyl)methanol;22996-17-4;4-Amino-2-nitrobenzyl alcohol;CCRIS 2683;Benzenemethanol, 4-amino-2-nitro-;BENZYL ALCOHOL, 4-AMINO-2-NITRO-;BRN 3049866;4-Amino-2-nitrobenzylalcohol;LCZC2575;SCHEMBL8744287;DTXSID70177536;BS-50656;LS-42704;CS-0112770;E76482;EN300-3020042;Z1255461732

Chemical Property of (4-Amino-2-nitrophenyl)methanol

Chemical Property:

• Vapor Pressure: 1.16E-06mmHg at 25°C
• Refractive Index: 1.663
• Boiling Point: 386.4 °C at 760 mmHg
• PKA: 13.76±0.10(Predicted)
• Flash Point: 187.5 °C
• PSA: 92.07000
• Density: 1.432 g/cm³
• LogP: 1.77370
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 168.05349212
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

(4-Amino-2-nitrophenyl)methanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])CO

Technology Process of (4-Amino-2-nitrophenyl)methanol

There total 4 articles about (4-Amino-2-nitrophenyl)methanol 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:

2,4-dinitrotoluene (121-14-2) → 4-acetylamino-2-nitrotoluene (2719-14-4) + 2-amino-4-acetylaminotoluene (6375-16-2) + (4-amino-2-nitrophenyl)methanol (22996-17-4) + (2-Amino-4-nitrophenyl)methan-1-ol (78468-34-5)

Guidance literature:

Product distribution; studies of the metabolism in wistar strain rats, secondary reactions;

DOI:10.1248/cpb.29.1147

Reference yield:

2,4-dinitrobenzyl alcohol (4836-66-2) → (4-amino-2-nitrophenyl)methanol (22996-17-4)

Guidance literature:

With sodium hydrogensulfide;

Reference yield:

2,4-dinitrobenzyl chloride (610-57-1) → (4-amino-2-nitrophenyl)methanol (22996-17-4)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NaOAc, (ii) aq. H₂SO₄

2: aq. NaHS

With sodium hydrogensulfide;

upstream raw materials:

2,4-dinitrotoluene

2,4-dinitrobenzyl alcohol

2,4-dinitrobenzyl chloride

benzyl chloride

Downstream raw materials:

(4-chloro-2-nitrophenyl)methanol

(4-bromo-2-nitrophenyl)methanol

4-iodo-2-nitrobenzyl alcohol