3,4-Dichloro-2-methylaniline

Base Information

• Chemical Name: 3,4-Dichloro-2-methylaniline
• CAS No.: 62077-25-2
• Molecular Formula: C7H7Cl2N
• Molecular Weight: 176.045
• Hs Code.: 2921430090
• DSSTox Substance ID: DTXSID40606984
• Wikidata: Q82505906
• Mol file: 62077-25-2.mol

Synonyms:3,4-Dichloro-2-methylaniline;62077-25-2;Benzenamine, 3,4-dichloro-2-methyl-;6-Amino-2,3-dichlorotoluene;SCHEMBL8282372;DTXSID40606984;MFCD11855814;AKOS006343559;BS-23015;DB-356600;CS-0211700;C90779;A868564

Chemical Property of 3,4-Dichloro-2-methylaniline

Chemical Property:

• Boiling Point: 287.0±35.0 °C(Predicted)
• PKA: 2.76±0.10(Predicted)
• PSA: 26.02000
• Density: 1.334±0.06 g/cm3(Predicted)
• LogP: 3.46520
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 174.9955546
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

97% ^*data from raw suppliers

3,4-Dichloro-2-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1Cl)Cl)N
• Uses: 3,4-Dichloro-2-methylaniline is a useful synthetic intermediate in the synthesis of 3,6,7-Trichloro-8-quinolinecarboxylic Acid (T774290); an impurity of Quinclorac (Q670300) which is a herbicide.

Technology Process of 3,4-Dichloro-2-methylaniline

There total 3 articles about 3,4-Dichloro-2-methylaniline 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:

acetic acid-(3,4-dichloro-2-methyl-anilide) (75570-95-5) → 3,4-dichloro-2-methyl-aniline (62077-25-2)

Guidance literature:

With sulfuric acid; at 90 ℃;

DOI:10.1039/jr9360000691

Reference yield:

2-methyl-3,4-dichloro-1-nitrobenzene (186393-28-2) → 3,4-dichloro-2-methyl-aniline (62077-25-2)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

Reference yield:

2,3-dichlorotoluene (32768-54-0) → 3,4-dichloro-2-methyl-aniline (62077-25-2)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated aqueous nitric acid

2: SnCl₂; aqueous HCl

With hydrogenchloride; nitric acid; tin(ll) chloride;

upstream raw materials:

2-methyl-3,4-dichloro-1-nitrobenzene

acetic acid-(3,4-dichloro-2-methyl-anilide)

2,3-dichlorotoluene

Downstream raw materials:

1,2,4-trichloro-3-methylbenzene

acetic acid-(3,4-dichloro-2-methyl-anilide)

2,3,6-TBA

1,2,4-trichloro-3-dichloromethyl-benzene