4-Chloro-2-methylaniline hydrochloride

Base Information

• Chemical Name: 4-Chloro-2-methylaniline hydrochloride
• CAS No.: 3165-93-3
• Molecular Formula: C7H8 Cl N . Cl H
• Molecular Weight: 178.061
• Hs Code.: 2921430090
• European Community (EC) Number: 221-627-8
• NSC Number: 7629
• UN Number: 1579
• UNII: 1Y82DN556P
• DSSTox Substance ID: DTXSID0020288
• Wikidata: Q27253163
• ChEMBL ID: CHEMBL3182298
• Mol file: 3165-93-3.mol

Synonyms:4-chloro-2-methylaniline;4-chloro-2-methylaniline hydrochloride;4-chloro-2-toluidine;4-chloro-2-toluidine hydrochloride;4-chloro-o-toluidine;p-chloro-o-toluidine;p-chloro-o-toluidine hydrochloride

Chemical Property of 4-Chloro-2-methylaniline hydrochloride

Chemical Property:

• Appearance/Colour: colourless gas
• Vapor Pressure: 0.0334mmHg at 25°C
• Melting Point: -93.6°C
• Boiling Point: 242.8°Cat760mmHg
• Flash Point: 99.4°C
• PSA: 26.02000
• Density: 1.18g/cm³
• LogP: 3.61380
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 177.0112047
• Heavy Atom Count: 10
• Complexity: 94.9
• Transport DOT Label: Poison

Purity/Quality:

99.5% ^*data from raw suppliers

4-Chloro-2-methylaniline Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: T,N
• Statements: 45-23/24/25-50/53-68
• Safety Statements: 53-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: CC1=C(C=CC(=C1)Cl)N.Cl
• Uses: p-Chloro-o-toluidine and its hydrochloride salt are used in manufacturing azo dyes for cotton, silk, acetate, and nylon and as intermediates in the production of the dyes C.I. 12800, pigment red 7, and pigment yellow 49 (IARC 1990, 2000). p-Chloro-o-toluidine has also been used since the 1960s in the manufacture of the pesticide (insecticide and acaricide) chlordimeform. It is believed that chlordimeformis no longer produced or used worldwide (IARC 1990).

Technology Process of 4-Chloro-2-methylaniline hydrochloride

There total 1 articles about 4-Chloro-2-methylaniline hydrochloride 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:

pyridine (110-86-1) + 1-chlorooctadecane (3386-33-2) → 1-octadecyl-pyridinium; chloride (3165-81-9)

Guidance literature:

DOI:10.1039/jr9380000682 DOI:10.1002/hlca.19380210135

Reference yield: 71.0%

2-amino-1,9-dihydro-6H-purin-6-one (73-40-5) + 2-methyl-4-chloro-aniline-hydrochloride (3165-93-3) → N6-(4-Chloro-2-methyl-phenyl)-9H-purine-2,6-diamine (120045-87-6)

Guidance literature:

With phosphorus pentoxide; triethylamine hydrochloride; at 190 - 200 ℃; for 6.5h;

Reference yield:

thiophosgene (463-71-8) + 2-methyl-4-chloro-aniline-hydrochloride (3165-93-3) → 4-chloro-2-methylphenyl isothiocyanate (23165-53-9)

Guidance literature:

With sodium hydrogencarbonate; In chloroform; for 0.5h;

DOI:10.1016/S0960-894X(01)00102-0

upstream raw materials:

pyridine

1-chlorooctadecane

Downstream raw materials:

1-(4-chloro-2-methyl-phenyl)-biguanide

N⁶-(4-Chloro-2-methyl-phenyl)-9H-purine-2,6-diamine

4-chloro-2-methylphenyl isothiocyanate

N-(4-Chloro-2-methylphenyl)thiourea

Refernces