3,4,5-Trimethylaniline

Base Information

• Chemical Name: 3,4,5-Trimethylaniline
• CAS No.: 1639-31-2
• Molecular Formula: C7H5BrN2S2
• Molecular Weight: 135.209
• Hs Code.: 2921430090
• European Community (EC) Number: 216-679-3
• NSC Number: 403297
• UNII: EH8A4NC8F3
• DSSTox Substance ID: DTXSID30167675
• Nikkaji Number: J195.274I
• Wikidata: Q72513909
• Mol file: 1639-31-2.mol

Synonyms:3,4,5-Trimethylaniline;1639-31-2;Benzenamine, 3,4,5-trimethyl-;3,4,5-Trimethylbenzenamine;EINECS 216-679-3;MFCD00130022;NSC-403297;3,4,5-trimethylbenzeneamine;nsc 403297;NSC403297;Cc1c(C)cc(N)cc1C;3.4.5-Trimethylanilin;EH8A4NC8F3;3,4,5-Trimethyl-benzenamine;Aniline, 3,4,5-trimethyl-;SCHEMBL112391;DTXSID30167675;BCP04550;CS-D0179;AKOS006275173;GS-3886;AC-12729;EN300-100222;A882500

Chemical Property of 3,4,5-Trimethylaniline

Chemical Property:

• Vapor Pressure: 0.0264mmHg at 25°C
• Melting Point: 79-80℃
• Refractive Index: 1.552
• Boiling Point: 246.9 °C at 760 mmHg
• PKA: 5.28±0.10(Predicted)
• Flash Point: 109.6 °C
• PSA: 26.02000
• Density: 0.962 g/cm³
• LogP: 2.77520
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 99.3

Purity/Quality:

99%, ^*data from raw suppliers

3,4,5-Trimethylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1C)C)N
• Use Description: 3,4,5-Trimethylaniline, a chemical compound, finds diverse applications across different fields. In the chemical industry, it serves as a valuable intermediate in the synthesis of various organic compounds, including dyes, pharmaceuticals, and agrochemicals. In the field of analytical chemistry, it is used as a reagent in analytical techniques like gas chromatography. Additionally, it plays a crucial role in the development of corrosion inhibitors, where it helps protect metals and alloys from deterioration. In the pharmaceutical sector, it can be utilized in the synthesis of certain medications and active pharmaceutical ingredients. Its versatility and role as a building block in chemical synthesis make 3,4,5-Trimethylaniline a valuable component in the production of a wide range of products, from colorful dyes to corrosion-resistant coatings and potentially life-saving pharmaceuticals.

Technology Process of 3,4,5-Trimethylaniline

There total 12 articles about 3,4,5-Trimethylaniline 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: 91.0%

3',4',5'-trimethylacetanilide (1467-34-1) → 3,4,5-trimethylaniline (1639-31-2)

Guidance literature:

With sulfuric acid; for 2h; Heating;

DOI:10.1021/jo0516279

Reference yield:

→ 3,4,5-trimethylaniline (1639-31-2)

Guidance literature:

With hydrogenchloride; at 170 ℃;

Reference yield:

→ 3,4,5-trimethylaniline (1639-31-2)

Guidance literature:

With platinum; Hydrogenation;

upstream raw materials:

methanol

3,5-dimethylphenylamine hydrochloride

3,4,5-trimethyl-1-nitrobenzene

formaldehyd

Downstream raw materials:

Bis-(3,4,5-trimethyl-phenyl)-diazene

3,4,5-trimethylbenzonitrile

Phenyl-(3,4,5-trimethyl-phenylamino)-acetonitrile

2-Chlor-3-<3,4,5-trimethyl-anilino>-1,4-naphthochinon

Refernces

• 1、 Trahanovsky, Walter S.,Lorimor, Steven P.. "Room temperature observation of p-xylylenes by 1H NMR and evidence for diradical intermediates in their oligomerization". . p. 1784 - 1794. Retrieved 2007/10/03.