5-Methyl-2-nitro-4-(trifluoromethyl)aniline

Base Information

• Chemical Name: 5-Methyl-2-nitro-4-(trifluoromethyl)aniline
• CAS No.: 1813-24-7
• Molecular Formula: C8H7F3N2O2
• Molecular Weight: 220.151
• DSSTox Substance ID: DTXSID80696208
• Wikidata: Q82625719
• Mol file: 1813-24-7.mol

Synonyms:5-Methyl-2-nitro-4-(trifluoromethyl)aniline;1813-24-7;5-METHYL-2-NITRO-4-TRIFLUOROMETHYL-PHENYLAMINE;SCHEMBL311884;DTXSID80696208;BAA81324;MFCD15527578;SB34471;AS-45808;CS-0320782;5-Methyl-2-nitro-4-(trifluoromethyl)phenylamine

Chemical Property of 5-Methyl-2-nitro-4-(trifluoromethyl)aniline

Chemical Property:

• PSA: 71.84000
• LogP: 3.60860
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 220.04596196
• Heavy Atom Count: 15
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

5-Methyl-2-nitro-4-(trifluoromethyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N

Technology Process of 5-Methyl-2-nitro-4-(trifluoromethyl)aniline

There total 6 articles about 5-Methyl-2-nitro-4-(trifluoromethyl)aniline 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: 91.0%

5-chloro-2-nitro-4-(trifluoromethyl)aniline (35375-74-7) → 5-methyl-2-nitro-4-triflouromethyl-phenylamine (1813-24-7)

Guidance literature:

diethyl malonate; With potassium tert-butylate; In dimethyl sulfoxide; at 20 - 30 ℃;

5-chloro-2-nitro-4-(trifluoromethyl)aniline; In dimethyl sulfoxide; at 60 ℃; for 20h;

With hydrogenchloride; potassium hydroxide; water; more than 3 stages;

Reference yield: 91.0%

5-chloro-2-nitro-4-(trifluoromethyl)aniline (35375-74-7) + diethyl malonate (105-53-3) → 5-methyl-2-nitro-4-triflouromethyl-phenylamine (1813-24-7)

Guidance literature:

diethyl malonate; With potassium tert-butylate; In dimethyl sulfoxide; at 0 - 30 ℃;

5-chloro-2-nitro-4-(trifluoromethyl)aniline; In dimethyl sulfoxide; at 60 ℃; for 20h;

With potassium hydroxide; In water; dimethyl sulfoxide; at 23 - 100 ℃; for 4h;

Reference yield:

1-chloro-5-methyl-2-nitro-4-(trifluoromethyl)benzene (18018-35-4) → 5-methyl-2-nitro-4-triflouromethyl-phenylamine (1813-24-7)

Guidance literature:

With ammonium hydroxide; at 150 ℃;

upstream raw materials:

1-chloro-5-methyl-2-nitro-4-(trifluoromethyl)benzene

4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

4-chloro-2-methyl-1-(trifluoromethyl)benzene

1-Chlor-3-methyl-4-trichlormethyl-benzol

Downstream raw materials:

1-methyl-4-nitro-2-(trifluoromethyl) benzene

4,5-Diamino-2-trifluormethyl-toluol

4-nitro-2-(trifluoromethyl)benzoic acid

1-bromo-5-methyl-2-nitro-4-trifluoromethyl-benzene

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