2,4-Dimethyl-5-nitroaniline

Base Information

• Chemical Name: 2,4-Dimethyl-5-nitroaniline
• CAS No.: 2124-47-2
• Molecular Formula: C8H10N2O2
• Molecular Weight: 166.18
• Hs Code.: 2921430090
• European Community (EC) Number: 668-703-0
• NSC Number: 20551
• DSSTox Substance ID: DTXSID00281150
• Nikkaji Number: J141.318J
• Wikidata: Q72470970
• Mol file: 2124-47-2.mol

Synonyms:2,4-Dimethyl-5-nitroaniline;2124-47-2;5-nitro-2,4-xylidine;(2,4-DIMETHYL-5-NITROPHENYL)AMINE;Benzenamine, 2,4-dimethyl-5-nitro-;MFCD00025199;2,4-dimethyl-5-nitrobenzenamine;NSC20551;2,4-Dimethyl-5-nitro-aniline;SCHEMBL1464001;DTXSID00281150;DUIOVGPUAJSYCD-UHFFFAOYSA-N;2,4-dimethyl-5-nitro-phenylamine;Benzenamine,2,4-dimethyl-5-nitro-;CL8383;NSC-20551;AKOS000266063;AM84078;CS-W017863;PS-5863;A4593;D5196;FT-0651191;EN300-08058;AE-562/43099671;J-013949;Z56785269

Chemical Property of 2,4-Dimethyl-5-nitroaniline

Chemical Property:

• Vapor Pressure: 0.000178mmHg at 25°C
• Melting Point: 122.0 to 126.0 °C
• Refractive Index: 1.601
• Boiling Point: 329.4 °C at 760 mmHg
• PKA: 2.83±0.10(Predicted)
• Flash Point: 153 °C
• PSA: 71.84000
• Density: 1.22g/cm³
• LogP: 2.89820
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• 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: 178

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4-Dimethyl-5-nitroaniline >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1N)[N+](=O)[O-])C
• Uses: 2,4-Dimethyl-5-nitroaniline is a reagent that is used in the synthesis of symmetric dinitro/tetranitro-functionalized Troger''s bases via heterocyclization of nitroanilines/dinitroanilines with diglycolic acid or paraformaldehyde.

Technology Process of 2,4-Dimethyl-5-nitroaniline

There total 7 articles about 2,4-Dimethyl-5-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: 97.0%

2,4-Xylidine (95-68-1) → 5-nitro-2,4-dimethylaniline (2124-47-2)

Guidance literature:

With sulfuric acid; uronium nitrate; at 0 - 10 ℃; for 0.333333h;

DOI:10.1002/ejoc.200801032

Reference yield:

N-(2.4-dimethyl-5-nitrophenyl)acetamide (62476-60-2) → 5-nitro-2,4-dimethylaniline (2124-47-2)

Guidance literature:

With sulfuric acid; In ethanol; water;

Reference yield:

4,6-dinitro-m-xylene (616-72-8) → 5-nitro-2,4-dimethylaniline (2124-47-2)

Guidance literature:

With ethanol; hydrogen sulfide; ammonia;

upstream raw materials:

4,6-dinitro-m-xylene

2,4-Xylidine

sulfuric acid

N-(2.4-dimethyl-5-nitrophenyl)acetamide

Downstream raw materials:

2,4-dimethyl-5-nitro-phenyl isocyanate

2,4-dimethylnitrobenzene

1-bromo-2,4-dimethyl-5-nitro-benzene

5-bromo-2,4-dimethylaniline

Refernces

• 1、 Jeanguenat, André,Durieux, Patricia,Edmunds, Andrew J.F.,Hall, Roger G.,Hughes, Dave,Loiseleur, Olivier,Pabba, Jagadish,Stoller, André,Trah, Stephan,Wenger, Jean,Dutton, Anna,Crossthwaite, Andrew. "Bicyclic heterocyclic anthranilic diamides as ryanodine receptor modulators with insecticidal activity". . p. 403 - 427. Retrieved 2016/01/25.
• 2、 -. "BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS". Page/Page column 89-90. . Retrieved 2010/11/28.