4-(Trifluoromethoxy)nitrobenzene

Base Information

• Chemical Name: 4-(Trifluoromethoxy)nitrobenzene
• CAS No.: 713-65-5
• Molecular Formula: C7H4F3NO3
• Molecular Weight: 207.109
• Hs Code.: 29093090
• Mol file: 713-65-5.mol

Synonyms:Anisole, a,a,a-trifluoro-p-nitro- (6CI,7CI,8CI);p-Nitrotrifluoromethoxybenzene;a,a,a-Trifluoro-p-nitroanisole;1-nitro-4-(trifluoromethoxy)benzene;1-Nitro-4-(trifluoromethoxy)benzene;

Chemical Property of 4-(Trifluoromethoxy)nitrobenzene

Chemical Property:

• Vapor Pressure: 0.196mmHg at 25°C
• Melting Point: 15°C
• Refractive Index: 1.467
• Boiling Point: 217.4 °C at 760 mmHg
• Flash Point: 85.3 °C
• PSA: 55.05000
• Density: 1.461 g/cm³
• LogP: 3.01660
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Not miscible or difficult to mix in water.

Purity/Quality:

98%, ^*data from raw suppliers

1-Nitro-4-(trifluoromethoxy)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37-23

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-Nitro-4-(trifluoromethoxy)benzene can be used to manufacture tobacco flavor.

Technology Process of 4-(Trifluoromethoxy)nitrobenzene

There total 14 articles about 4-(Trifluoromethoxy)nitrobenzene 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%

4-trifluoromethoxyphenylboronic acid (139301-27-2) → 4-nitrophenyl trifluoromethyl ether (713-65-5)

Guidance literature:

With 1,1,1,3',3',3'-hexafluoro-propanol; 2-nitrobenzo[d]isothiazol-3(2H)-one 1,1-dioxide; at 60 ℃; for 19h; Reagent/catalyst; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.0c00671

Reference yield: 90.0%

potassium (4-(trifluoromethoxy)phenyl)trifluoroborate (1394827-04-3) → 4-nitrophenyl trifluoromethyl ether (713-65-5)

Guidance literature:

With bismuth (III) nitrate pentahydrate; In toluene; at 120 ℃; for 0.333333h; Microwave irradiation;

DOI:10.1016/j.tetlet.2014.01.102

Reference yield: 85.0%

1-trifluoromethoxybenzene (456-55-3) → 4-nitrophenyl trifluoromethyl ether (713-65-5)

Guidance literature:

With sulfuric acid; nitric acid; In dichloromethane; at 0 - 30 ℃; for 2h;

upstream raw materials:

1-trifluoromethoxybenzene

4-nitro-phenol

potassium (4-(trifluoromethoxy)phenyl)trifluoroborate

methoxybenzene

Downstream raw materials:

3-Phenyl-5-trifluormethoxy-anthranil

4-(trifluoromethoxy)aniline

Refernces

• 1、 -. "Method for synthesizing nitro (hetero) aromatic hydrocarbon". Paragraph 0082-0084; 0085-0087. . Retrieved 2022/04/08.
• 2、 -. "NITRATION". Page/Page column 36; 38; 42; 52; 66. . Retrieved 2020/05/28.