2,4,5-Trimethylaniline

Base Information

• Chemical Name: 2,4,5-Trimethylaniline
• CAS No.: 137-17-7
• Molecular Formula: C9H13 N
• Molecular Weight: 135.209
• Hs Code.: H3)3C6H2NH2 MOL WT. 135.21
• European Community (EC) Number: 205-282-0
• NSC Number: 37004,5297
• UNII: 00KUO98F97
• DSSTox Substance ID: DTXSID9021398
• Nikkaji Number: J5.629D
• Wikidata: Q27156056
• ChEMBL ID: CHEMBL541229
• Mol file: 137-17-7.mol

Synonyms:2,4,5-TMA;2,4,5-trimethylaniline;2,4,5-trimethylaniline hydrochloride

Chemical Property of 2,4,5-Trimethylaniline

Chemical Property:

• Appearance/Colour: Colorless to reddish yellow liquid
• Vapor Pressure: 0.0527mmHg at 25°C
• Melting Point: 62 - 65 C
• Refractive Index: 1.5130 (estimate)
• Boiling Point: 234 - 235 C
• PKA: 5.01±0.10(Predicted)
• Flash Point: -5 ºC
• PSA: 26.02000
• Density: 0.78
• LogP: 2.77520
• Storage Temp.: 2-8°C
• Water Solubility.: 1.5g/L(28.70 oC)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 111

Purity/Quality:

2,4,5-Trimethylaniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn,N,T
• Statements: 11-20/21/22-36-51/53-23/24/25-45
• Safety Statements: 16-36/37-61-45-53

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: CC1=CC(=C(C=C1C)N)C
• Uses: Manufacture of dyes, organic synthesis.

Technology Process of 2,4,5-Trimethylaniline

There total 17 articles about 2,4,5-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: 97.0%

5-nitropseudocumene (610-91-3,172368-91-1) → 2,4,5-trimethylaniline (137-17-7)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; under 22800 Torr; Ambient temperature;

DOI:10.1002/hlca.19900730105

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 1,3-bis-(2,4,5-trimethyl-phenyl)-triazene → 2,4,5-trimethylphenol (496-78-6) + 2,4,5-trimethylaniline (137-17-7)

Guidance literature:

Reference yield:

1,2,4-Trimethylbenzene (95-63-6) → 2,4,5-trimethylaniline (137-17-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 38 percent / HNO₃ (d= 1,40), H₂SO₄ (d = 1,83)

2: 97 percent / H₂, aq. HCl / 10percent Pd/C / 22800 Torr / Ambient temperature

With hydrogenchloride; sulfuric acid; hydrogen; nitric acid; palladium on activated charcoal;

DOI:10.1002/hlca.19900730105

upstream raw materials:

methanol

m-toluidine hydrochloride

3,4-dimethylaniline hydrochloride

N,N-dimethyl-m-toluidine

Downstream raw materials:

N,N'-bis-(2,4,5-trimethyl-phenyl)-oxalamide

2,4,5-trimethylphenyl isocyanate

4,5,6,7-tetrachloro-2-(2,4,5-trimethyl-phenyl)-isoindoline-1,3-dione

4,5,6,7-tetraiodo-2-(2,4,5-trimethyl-phenyl)-isoindoline-1,3-dione

Refernces

• 1、 -. "Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof". . . Retrieved 2008/06/13.