3,5-Dimethyl-4-nitroaniline

Base Information

• Chemical Name: 3,5-Dimethyl-4-nitroaniline
• CAS No.: 34761-82-5
• Molecular Formula: C8H10 N2 O2
• Molecular Weight: 166.18
• Hs Code.: 2921430090
• DSSTox Substance ID: DTXSID80188315
• Nikkaji Number: J141.328G
• Wikidata: Q83060129
• Mol file: 34761-82-5.mol

Synonyms:3,5-dimethyl-4-nitroaniline

Chemical Property of 3,5-Dimethyl-4-nitroaniline

Chemical Property:

• Vapor Pressure: 0.000157mmHg at 25°C
• Melting Point: 136 °C
• Boiling Point: 331.3°Cat760mmHg
• PKA: 1.24±0.10(Predicted)
• Flash Point: 154.2°C
• PSA: 71.84000
• Density: 1.22g/cm³
• LogP: 2.89820
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

97% ^*data from raw suppliers

3,5-Dimethyl-4-nitroaniline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1[N+](=O)[O-])C)N

Technology Process of 3,5-Dimethyl-4-nitroaniline

There total 12 articles about 3,5-Dimethyl-4-nitroaniline 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: 90.0%

5-iodo-1,3-dimethyl-2-nitrobenzene (144991-54-8) → 3,5-dimethyl-4-nitroaniline (34761-82-5)

Guidance literature:

With ammonium hydroxide; caesium carbonate; In water; for 2h; Reflux; Green chemistry;

DOI:10.1002/cjoc.201400138

Reference yield: 83.0%

N-(4-methoxybenzyl)-3,5-dimethyl-4-nitroaniline → 3,5-dimethyl-4-nitroaniline (34761-82-5)

Guidance literature:

With trifluoroacetic acid; at 80 ℃; for 3h;

Reference yield:

3,5-dimethyl-4-nitrobenzoic acid (3095-38-3) → 3,5-dimethyl-4-nitroaniline (34761-82-5)

Guidance literature:

With thionyl chloride; Eintragen des erhaltenen Saeurechlorids in wss.Ammoniak und Behandeln des erhaltenen Saeureamids mit wss.Natriumhypobromit-Loesung;

DOI:10.1039/jr9390000981

upstream raw materials:

3,5-dimethyl-4-nitrobenzoic acid

3,5-dimethylaminoaniline

3,5-dimethyl-4-nitro-benzoic acid amide

N-(3,5-dimethyl-4-nitrophenyl)methanesulfonamide

Downstream raw materials:

5-iodo-1,3-dimethyl-2-nitrobenzene

2,6-dimethyl-4-fluoro-1-nitro-benzene

dimethyl-2,6 fluoro-4 phenol

1-chloro-4-fluoro-2,6-dimethylbenzene