5-Nitro-2-propoxyaniline

Base Information

• Chemical Name: 5-Nitro-2-propoxyaniline
• CAS No.: 553-79-7
• Molecular Formula: C9H12 N2 O3
• Molecular Weight: 196.206
• Hs Code.: 2922299090
• European Community (EC) Number: 209-049-4
• NSC Number: 108776
• UNII: HDS42MR6BM
• DSSTox Substance ID: DTXSID50203827
• Nikkaji Number: J10.629A
• Wikipedia: 5-Nitro-2-propoxyaniline
• Wikidata: Q754374
• Metabolomics Workbench ID: 47882
• ChEMBL ID: CHEMBL322314
• Mol file: 553-79-7.mol

Synonyms:1-N-propoxy-2-amino-4- nitrobenzene;5-nitro-2-propoxyaniline;P 4000;P-4000;Ultrasuss

Chemical Property of 5-Nitro-2-propoxyaniline

Chemical Property:

• Vapor Pressure: 1.41E-05mmHg at 25°C
• Melting Point: 49°C
• Refractive Index: 1.6010 (estimate)
• Boiling Point: 367°Cat760mmHg
• PKA: 2.54±0.10(Predicted)
• Flash Point: 175.8°C
• PSA: 81.07000
• Density: 1.221g/cm³
• LogP: 3.07020
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 196.08479225
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

5-NITRO-2-N-PROPOXYANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=C(C=C(C=C1)[N+](=O)[O-])N
• Uses: Food additive (prohibited).

Technology Process of 5-Nitro-2-propoxyaniline

There total 12 articles about 5-Nitro-2-propoxyaniline 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: 24.0%

1-propoxy-2,4-dinitrobenzene (10242-17-8) → 2-amino-4-nitro-1-propoxybenzene (553-79-7) + 2,2'-dipropoxy-5,5'-dinitroazoxybenzene

Guidance literature:

With nickel; hydrazine hydrate; In methanol; at 4 - 5 ℃; for 0.75h;

DOI:10.1246/bcsj.56.3159

Reference yield:

1-propoxy-2,4-dinitrobenzene (10242-17-8) → 2-amino-4-nitro-1-propoxybenzene (553-79-7) + 3-nitro-4-propoxy-aniline (60569-15-5)

Guidance literature:

With propan-1-ol; sodium disulfide;

Reference yield:

2-propoxyaniline (4469-78-7) → 2-amino-4-nitro-1-propoxybenzene (553-79-7)

Guidance literature:

With sulfuric acid; nitric acid; acetic acid; at -10 ℃;

upstream raw materials:

1-propoxy-2,4-dinitrobenzene

acetic acid-(2-propoxy-anilide)

2-propoxyaniline

2-Acetamino-4-nitropropoxybenzen

Downstream raw materials:

5-nitro-2-propoxy-N-(2-[2]pyridyl-ethyl)-aniline

N-[2-(6-methyl-[2]pyridyl)-ethyl]-5-nitro-2-propoxy-aniline

5-nitro-2-propoxy-phenyl isocyanate

2-chloro-4-nitrophenol

Refernces