N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline

Base Information

• Chemical Name: N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline
• CAS No.: 40700-38-7
• Molecular Formula: C9H9 F3 N2 O2
• Molecular Weight: 234.178
• Hs Code.: 2921430090
• DSSTox Substance ID: DTXSID50371838
• Nikkaji Number: J3.195.628E
• Wikidata: Q82159307
• Mol file: 40700-38-7.mol

Synonyms:40700-38-7;N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline;4-dimethylamino-3-nitrobenzotrifluoride;4-(Dimethylamino)-3-nitrobenzotrifluoride;4-(N,N-Dimethylamino)-3-nitrobenzotrifluoride;SCHEMBL5570150;DTXSID50371838;GLTPOHUTGHFRRA-UHFFFAOYSA-N;MFCD00236670;AKOS016359887;SB76781;AS-10180;CS-0210750;FT-0639661;N,N-Dimethyl-2-nitro-4-trifluoromethylaniline;A825245

Chemical Property of N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline

Chemical Property:

• Vapor Pressure: 0.00884mmHg at 25°C
• Refractive Index: 1.514
• Boiling Point: 266°C at 760 mmHg
• Flash Point: 114.7°C
• PSA: 49.06000
• Density: 1.355g/cm³
• LogP: 3.20280
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 234.06161202
• Heavy Atom Count: 16
• Complexity: 263

Purity/Quality:

97% ^*data from raw suppliers

N,N-Dimethyl-2-nitro-4-(trifluoromethyl)aniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: CN(C)C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Technology Process of N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline

There total 4 articles about N,N-dimethyl-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: 96.0%

1-fluoro-2-nitro-4-trifluoromethyl-benzene (367-86-2) + dimethyl amine (124-40-3) → N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline (40700-38-7)

Guidance literature:

In dimethyl sulfoxide; at 50 ℃;

Reference yield: 82.0%

1-fluoro-2-nitro-4-trifluoromethyl-benzene (367-86-2) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline (40700-38-7)

Guidance literature:

N,N-dimethyl-formamide; With ammonia; In water; at 240 ℃; for 0.666667h;

1-fluoro-2-nitro-4-trifluoromethyl-benzene; In water; at 30 ℃; for 0.333333h;

DOI:10.1021/jo400390t

Reference yield:

2-chloro-3-nitro-5-trifluoromethylbenzene (121-17-5) → 1-fluoro-2-nitro-4-trifluoromethyl-benzene (367-86-2) + 1,2-difluoro-4-(trifluoromethyl)benzene (32137-19-2) + 2-methoxy-5-nitrobenzotrifluoride (394-25-2) + N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline (40700-38-7) + 2-nitro-4-trifluoromethylphenol (400-99-7) + C14H6F7NO3

Guidance literature:

With potassium fluoride; tetramethlyammonium chloride; In sulfolane; at 180 ℃;

DOI:10.1021/jo00022a037

upstream raw materials:

2-chloro-3-nitro-5-trifluoromethylbenzene

1-fluoro-2-nitro-4-trifluoromethyl-benzene

dimethyl amine

N,N-dimethyl-formamide

Downstream raw materials:

N₁,N₁-dimethyl-4-(trifluoromethyl)benzene-1,2-diamine