5-Fluoro-2-nitrotoluene

Base Information

• Chemical Name: 5-Fluoro-2-nitrotoluene
• CAS No.: 446-33-3
• Molecular Formula: C7H6FNO2
• Molecular Weight: 155.129
• Hs Code.: 29049085
• European Community (EC) Number: 207-164-4
• NSC Number: 10334
• UNII: DL37KMH6YZ
• DSSTox Substance ID: DTXSID80196238
• Nikkaji Number: J52C
• Wikidata: Q72475457
• Mol file: 446-33-3.mol

Synonyms:5-Fluoro-2-nitrotoluene;446-33-3;4-Fluoro-2-methyl-1-nitrobenzene;3-Fluoro-6-nitrotoluene;2-nitro-5-fluoro toluene;Benzene, 4-fluoro-2-methyl-1-nitro-;4-Fluoro-2-methylnitrobenzene;Toluene, 5-fluoro-2-nitro-;2-nitro-5-fluorotoluene;2-Methyl-4-fluoronitrobenzene;3-Methyl-4-nitrofluorobenzene;EINECS 207-164-4;MFCD00007283;NSC-10334;AI3-52230;4-fluoro-2-methyl-1-nitro-benzene;NSC10334;5-fluoro-2nitrotoluene;DL37KMH6YZ;5-fluoro-2-nitro-toluene;SCHEMBL85639;4-fluoro-2-methyl-nitrobenzene;5-Fluoro-2-nitrotoluene, 97%;JHFOWEGCZWLHNW-UHFFFAOYSA-;DTXSID80196238;1-fluoro-3-methyl-4-nitrobenzene;NSC 10334;4-Fluoro-2-methyl-1-nitrobenzene #;AKOS005145649;AC-2479;AM61551;CS-W016255;AS-14997;A7088;F0301;FT-0620408;EN300-25668;F-6100;F0001-2668

Chemical Property of 5-Fluoro-2-nitrotoluene

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 0.116mmHg at 25°C
• Melting Point: 28 °C
• Refractive Index: n20/D 1.527(lit.)
• Boiling Point: 227.5 °C at 760 mmHg
• Flash Point: 87.8 °C
• PSA: 45.82000
• Density: 1.274 g/cm³
• LogP: 2.56550
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 155.03825660
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-2-methyl-1-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-45-37-28A

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 5-Fluoro-2-nitrotoluene

There total 9 articles about 5-Fluoro-2-nitrotoluene 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: 85.0%

m-Fluorotoluene (352-70-5) → 5-Fluoro-2-nitrotoluene (446-33-3)

Guidance literature:

With nitric acid; at -15 - 55 ℃; for 8.5h; Inert atmosphere;

DOI:10.3987/COM-18-S(T)30

Reference yield: 73.0%

diethyl 2-(5-fluoro-2-nitrophenyl)malonate → 5-Fluoro-2-nitrotoluene (446-33-3)

Guidance literature:

With magnesium chloride; In N,N-dimethyl acetamide; at 140 - 150 ℃; for 20h;

DOI:10.1055/s-2000-8209

Reference yield:

→ 5-Fluoro-2-nitrotoluene (446-33-3)

Guidance literature:

With magnesium silicate; at 100 ℃;

upstream raw materials:

nitro acetate

m-Fluorotoluene

nitric acid

2,4-Difluoronitrobenzene

Downstream raw materials:

4-fluor-2-methylaniline

N,N-Dimethyl-N'-(3-methyl-4-nitro-phenyl)-ethane-1,2-diamine

N,N-Dimethyl-N'-(3-methyl-4-nitro-phenyl)-propane-1,3-diamine

1-(3-methyl-4-nitrophenyl)-1H-pyrazole