2-Methyl-3-nitroaniline

Base Information

• Chemical Name: 2-Methyl-3-nitroaniline
• CAS No.: 603-83-8
• Molecular Formula: C7H8N2O2
• Molecular Weight: 152.153
• Hs Code.: 29214300
• European Community (EC) Number: 210-059-6
• NSC Number: 227939
• UN Number: 2660
• UNII: D3JC433CEB
• DSSTox Substance ID: DTXSID8025628
• Nikkaji Number: J85.099C
• Wikidata: Q72493376
• ChEMBL ID: CHEMBL1882292
• Mol file: 603-83-8.mol

Synonyms:2-amino-6-nitrotoluene

Chemical Property of 2-Methyl-3-nitroaniline

Chemical Property:

• Appearance/Colour: Yellow to greenish-yellow crystalline powder
• Vapor Pressure: 0.409mmHg at 25°C
• Melting Point: 88-90 °C(lit.)
• Refractive Index: 1.475
• Boiling Point: 304.7 °C at 760 mmHg
• PKA: 2.31±0.10(Predicted)
• Flash Point: 138.1 °C
• PSA: 71.84000
• Density: 1.269 g/cm³
• LogP: 2.58980
• Storage Temp.: Store below +30°C.
• Solubility.: <1mg/l
• Water Solubility.: <0.1 g/100 mL at 23℃
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 155
• Transport DOT Label: Poison

Purity/Quality:

99%, ^*data from raw suppliers

2-Methyl-3-nitroaniline >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, N
• Hazard Codes: T,N
• Statements: 23/24/25-33-51/53
• Safety Statements: 28-36/37-45-61-28A

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1[N+](=O)[O-])N
• Uses: 2-Amino-6-nitrotoluene (2-Methyl-3-nitroaniline) has been used as a standard while evaluating the potential for degradation of nitroaromatic compounds by indigenous microorganisms.

Technology Process of 2-Methyl-3-nitroaniline

There total 15 articles about 2-Methyl-3-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: 95.0%

2,6-dinitrotoluene (606-20-2) → 3-nitro-o-tolylamine (603-83-8)

Guidance literature:

2,6-dinitrotoluene; In 1,4-dioxane; water; at 50 ℃; for 0.0833333h;

With formic acid; In 1,4-dioxane; water; at 50 ℃; for 2h; Sealed tube;

DOI:10.1039/c8ta09342c

Reference yield:

4-Amino-2,6-dinitrotoluene (19406-51-0,153919-64-3) → 3-nitro-o-tolylamine (603-83-8)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) (diazotization), (ii) (reduction)

2: 4>2S

With diammonium sulfide;

DOI:10.1021/ja01486a022

Reference yield:

2,6-dinitrotoluene (606-20-2) → 2,6-toluenediamine (823-40-5) + 3-nitro-o-tolylamine (603-83-8)

Guidance literature:

In phosphate buffer; pH=2; Electrochemical reaction;

DOI:10.1021/es001465s

upstream raw materials:

2,6-dinitrotoluene

o-toluidine

N-(2-methylphenyl)phthalimide

ammonia

Downstream raw materials:

N-(2-methyl-3-nitro-phenyl)-succinimide

acetic acid-(2-methyl-3-nitro-anilide)

N-(2-methyl-3-nitrophenyl)-benzamide

(2-methyl-3-nitro-phenyl)-carbamic acid benzyl ester

Refernces

• 1、 Mondal, Ujjal,Sen, Sujit. "Highly Selective Room Temperature Monoreduction of Dinitro-arenes by Hydrogen Sulfide under Liquid–Liquid Biphasic Catalysis". . p. 15 - 30. Retrieved 2017/12/02.
• 2、 Liu, Shuang-Shuang,Liu, Xiang,Yu, Lei,Liu, Yong-Mei,He, He-Yong,Cao, Yong. "Gold supported on titania for specific monohydrogenation of dinitroaromatics in the liquid phase". . p. 4162 - 4169. Retrieved 2014/09/29.