2-Methyl-3-nitrobenzotrifluoride

Base Information

• Chemical Name: 2-Methyl-3-nitrobenzotrifluoride
• CAS No.: 6656-49-1
• Molecular Formula: C8H6F3NO2
• Molecular Weight: 205.136
• Hs Code.: 2904909090
• European Community (EC) Number: 229-688-2
• UNII: ZUF5GC6GJA
• DSSTox Substance ID: DTXSID60216741
• Nikkaji Number: J298.045B
• Wikidata: Q72493503
• Mol file: 6656-49-1.mol

Synonyms:2-Methyl-3-nitrobenzotrifluoride;6656-49-1;2-methyl-1-nitro-3-(trifluoromethyl)benzene;2-nitro-6-trifluoromethyltoluene;2-Nitro-6-(trifluoromethyl)toluene;2-methyl-3-(trifluoromethyl)nitrobenzene;Benzene, 2-methyl-1-nitro-3-(trifluoromethyl)-;alpha,alpha,alpha-Trifluoro-3-nitro-o-xylene;MFCD00042322;EINECS 229-688-2;ZUF5GC6GJA;SCHEMBL2431059;DTXSID60216741;2-methyl-3-nitro-benzotrifluoride;2-(trifluoromethyl)-6-nitrotoluene;AKOS015890012;AC-6884;CS-W002209;AS-15928;SY016888;2-methyl-1-nitro-3-trifluoromethyl-benzene;1-(Trifluoromethyl)-2-methyl-3-nitrobenzene;A8967;AM20060130;FT-0612949;M1275;EN300-84215;J-509957;F0001-1769

Chemical Property of 2-Methyl-3-nitrobenzotrifluoride

Chemical Property:

• Appearance/Colour: Colorless to light yellow Liquid
• Refractive Index: 1.4780
• Boiling Point: 202.8 °C at 760 mmHg
• Flash Point: 76.4 °C
• PSA: 45.82000
• Density: 1.357 g/cm³
• LogP: 3.44520
• Storage Temp.: Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 205.03506292
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methyl-3-nitrobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R21/22:Harmful in contact with skin and if swallowed.; R36/38:Irritating to eyes and skin.
• Hazard Codes: Xi,T
• Statements: 20/21/22-36/37/38-25-36/38-24/25
• Safety Statements: 23-26-36/37/39-60-45-36/37-20-36-28

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1[N+](=O)[O-])C(F)(F)F

Technology Process of 2-Methyl-3-nitrobenzotrifluoride

There total 2 articles about 2-Methyl-3-nitrobenzotrifluoride 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:

→ 2-methyl-1-nitro-3-(trifluoromethyl)benzene (6656-49-1) + 4-(trifluoromethyl)indane-1-amine (68755-43-1)

Guidance literature:

Reference yield:

→ 2-methyl-1-nitro-3-(trifluoromethyl)benzene (6656-49-1)

Guidance literature:

entspr. Benzoesaeure, SF4;

Reference yield: 100.0%

2-methyl-1-nitro-3-(trifluoromethyl)benzene (6656-49-1) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → dimethyl[(E)-2-(2-nitro-6-trifluoromethylphenyl)vinyl]amine (905274-06-8)

Guidance literature:

In N,N-dimethyl-formamide; for 6h; Heating / reflux;

Downstream raw materials:

[1-(4-Methoxyphenyl)-2-[2-nitro-6-(trifluoromethyl)phenyl]ethyl]propanedioic acid,dimethyl ester

2-[1-(3,4-Dimethoxy-phenyl)-2-(2-nitro-6-trifluoromethyl-phenyl)-ethyl]-malonic acid dimethyl ester

<1-(4-ethylphenyl)-2-<2-nitro-6-(trifluoromethyl)phenyl>ethyl>propanedioic acid, dimethyl ester

2-[1-(4-Methylsulfanyl-phenyl)-2-(2-nitro-6-trifluoromethyl-phenyl)-ethyl]-malonic acid dimethyl ester

Refernces