5-Chloro-4-methyl-2-nitroaniline

Base Information

• Chemical Name: 5-Chloro-4-methyl-2-nitroaniline
• CAS No.: 7149-80-6
• Molecular Formula: C7H7ClN2O2
• Molecular Weight: 186.598
• Hs Code.: 2921430090
• NSC Number: 72334
• DSSTox Substance ID: DTXSID90291001
• Wikidata: Q82028829
• Mol file: 7149-80-6.mol

Synonyms:5-chloro-4-methyl-2-nitroaniline;7149-80-6;Benzenamine, 5-chloro-4-methyl-2-nitro-;MFCD00034066;5-Chloro-4-methyl-2-nitro-phenylamine;4-amino-2-chloro-5-nitrotoluene;NSC72334;Benzenamine,5-chloro-4-methyl-2-nitro-;SCHEMBL772636;DTXSID90291001;AMY28398;BBL000398;CL8453;NSC 72334;NSC-72334;STK802944;AKOS000114357;AC-2950;CS-W016875;DS-1291;BP-20104;SY003412;BB 0244032;FT-0620280

Chemical Property of 5-Chloro-4-methyl-2-nitroaniline

Chemical Property:

• Appearance/Colour: orange-brown crystalline powder
• Vapor Pressure: 9.3E-05mmHg at 25°C
• Melting Point: 159-163 °C
• Refractive Index: 1.627
• Boiling Point: 339.3 °C at 760 mmHg
• PKA: -0.79±0.25(Predicted)
• Flash Point: 159 °C
• PSA: 71.84000
• Density: 1.415 g/cm³
• LogP: 3.24320
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 186.0196052
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

99%, ^*data from raw suppliers

5-Chloro-4-methyl-2-nitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1Cl)N)[N+](=O)[O-]

Technology Process of 5-Chloro-4-methyl-2-nitroaniline

There total 11 articles about 5-Chloro-4-methyl-2-nitroaniline 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: 100.0%

5-chloro-4-methyl-2-nitroacetanilide (7149-78-2) → 5-chloro-4-methyl-2-nitroaniline (7149-80-6)

Guidance literature:

With methanol; sodium methylate; at 20 ℃; for 5h;

Reference yield: 63.7%

1,5-dichloro-2-methyl-4-nitrobenzene (7149-77-1) → 5-chloro-4-methyl-2-nitroaniline (7149-80-6)

Guidance literature:

With ammonia; In water; isopropyl alcohol; at 120 ℃; for 6h;

Reference yield:

N-(3-chloro-4-methylphenyl)acetamide (7149-79-3) → 5-chloro-4-methyl-2-nitroaniline (7149-80-6)

Guidance literature:

With nitric acid; und folgende Verseifung;

upstream raw materials:

N-(3-chloro-4-methylphenyl)acetamide

2-chloro-4,5-dinitro-toluene

5-chloro-4-methyl-2-nitroacetanilide

1,5-dichloro-2-methyl-4-nitrobenzene

Downstream raw materials:

(5-chloro-4-methyl-2-nitro-phenyl)-carbamic acid tert-butyl ester

ethyl 7-(2-amino-5-chloro-4-methylphenylamino)heptanoate

tert-butyl 7-[(2-amino-5-chloro-4-methylphenyl)amino]heptanoate

ethyl 7-[(2-amino-5-cyclopropyl-4-methylphenyl)amino]heptanoate

Refernces

• 1、 -. "FLAVIN DERIVATIVES". . . Retrieved 2010/04/03.
• 2、 Wollweber,Kolling,Niemers,et al.. "2-(Guanidino)-anilides and related compounds. Synthesis and anthelmintic activity. 3rd Communication: Anthelmintics". . p. 531 - 542. Retrieved 2007/10/02.