2-Chloro-4,5-dimethylaniline

Base Information

• Chemical Name: 2-Chloro-4,5-dimethylaniline
• CAS No.: 1585-13-3
• Molecular Formula: C8H10ClN
• Molecular Weight: 155.627
• Hs Code.: 2921430090
• European Community (EC) Number: 830-322-4
• DSSTox Substance ID: DTXSID60697213
• Wikidata: Q82627018
• Mol file: 1585-13-3.mol

Synonyms:2-Chloro-4,5-dimethylaniline;1585-13-3;2-CHLORO-4,5-DIMETHYLBENZENAMINE;SCHEMBL16282614;DTXSID60697213;BAA58513;MFCD15527213;AKOS017515210;FS-4634;SB76375;CS-0061243;EN300-226353;A856809;F0001-0566;Z1255425723

Chemical Property of 2-Chloro-4,5-dimethylaniline

Chemical Property:

• Melting Point: 85.0-86.5 °C
• Boiling Point: 248.7±35.0 °C(Predicted)
• PKA: 3.21±0.10(Predicted)
• PSA: 26.02000
• Density: 1.142±0.06 g/cm3(Predicted)
• LogP: 3.12020
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 155.0501770
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

97% ^*data from raw suppliers

2-chloro-4,5-dimethylbenzenamine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)Cl)N

Technology Process of 2-Chloro-4,5-dimethylaniline

There total 5 articles about 2-Chloro-4,5-dimethylaniline 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:

4-amino-o-xylene (95-64-7) → 2-iodo-4,5-dimethylaniline (117832-17-4) + 2-chloro-4,5-dimethylaniline (1585-13-3)

Guidance literature:

With 1-butyl-3-methyl-pyridinium dichloroiodate; for 1h;

DOI:10.1039/c5ra14702f

Reference yield:

acetic acid-(2-chloro-4,5-dimethyl-anilide) (1585-21-3) → 2-chloro-4,5-dimethylaniline (1585-13-3)

Guidance literature:

With sulfuric acid;

DOI:10.1039/jr9340000283

Reference yield:

N-(3,4-dimethylphenyl)acetamide (2198-54-1) → 2-chloro-4,5-dimethylaniline (1585-13-3)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; chlorine

2: aqueous sulfuric acid

With sulfuric acid; chlorine; acetic acid;

DOI:10.1039/jr9340000283

upstream raw materials:

acetic acid-(2-chloro-4,5-dimethyl-anilide)

1-chloro-2-nitro-4,5-dimethylbenzene

4,5-dimethyl-2-nitrobenzenamine

N-(3,4-dimethylphenyl)acetamide

Downstream raw materials:

1,2-dichloro-4,5-dimethyl-benzene

1,4-dibromo-2,3-dichloro-5,6-dimethyl-benzene

Refernces