2-NITRO-5-(TRIFLUOROMETHYL)PHENOL

Base Information

• Chemical Name: 2-NITRO-5-(TRIFLUOROMETHYL)PHENOL
• CAS No.: 402-17-5
• Molecular Formula: C7H4F3NO3
• Molecular Weight: 207.109
• Hs Code.: 2908999090
• Mol file: 402-17-5.mol

Synonyms:2-Nitro-5-(trifluoromethyl)phenol;3-Hydroxy-4-nitrobenzotrifluoride;α,α,α-Trifluoro-6-nitro-m-cresol;

Chemical Property of 2-NITRO-5-(TRIFLUOROMETHYL)PHENOL

Chemical Property:

• Vapor Pressure: 0.026mmHg at 25°C
• Refractive Index: 1.507
• Boiling Point: 239.355 °C at 760 mmHg
• PKA: 5.83±0.13(Predicted)
• Flash Point: 98.559 °C
• PSA: 66.05000
• Density: 1.555 g/cm³
• LogP: 2.84240
• Storage Temp.: Inert atmosphere,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

2-Nitro-5-(trifluoromethyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-NITRO-5-(TRIFLUOROMETHYL)PHENOL

There total 5 articles about 2-NITRO-5-(TRIFLUOROMETHYL)PHENOL 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: 80.0%

p-nitrobenzotrifluoride (402-54-0) → 2-nitro-5-trifluoromethylphenol (402-17-5)

Guidance literature:

With tert.-butylhydroperoxide; potassium tert-butylate; ammonia; In tetrahydrofuran; for 0.25h;

DOI:10.1021/jo00304a001

Reference yield: 78.0%

3-chloro-4-nitrobenzotrifluoride (402-11-9) → 2-nitro-5-trifluoromethylphenol (402-17-5)

Guidance literature:

With potassium phosphate; tri-tert-butyl phosphine; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In toluene; at 50 ℃; for 22h;

DOI:10.1016/j.tetlet.2006.11.036

Reference yield: 33.8%

3-Trifluoromethylphenol (98-17-9) → 2-nitro-5-trifluoromethylphenol (402-17-5)

Guidance literature:

With nitric acid; acetic acid; Cooling with ice;

DOI:10.1021/ol8008667

upstream raw materials:

2-nitro-5-(trifluoromethyl)aniline

p-nitrobenzotrifluoride

3-Trifluoromethylphenol

3-chloro-4-nitrobenzotrifluoride

Downstream raw materials:

methyl 4-[(2-nitro-5-(trifluoromethyl)phenoxy)methyl]benzoate

C₁₅H₁₁ClF₃NO₂S

C₁₅H₉ClF₃NO₂

C₁₅H₁₁ClF₃NO₂S

Refernces

• 1、 -. "HMOX1 inducers". Page/Page column 62. . Retrieved 2020/09/18.
• 2、 Perez-Bolivar, Cesar,Takizawa, Shin-Ya,Nishimura, Go,Montes, Victor A.,Anzenbacher, Pavel. "High-efficiency tris(8-hydroxyquinoline)aluminum (Alq3) complexes for organic white-light-emitting diodes and solid-state lighting". supporting information; experimental part. p. 9076 - 9082. Retrieved 2011/10/01.