2-NITRO-4-(TRIFLUOROMETHOXY)PHENOL

Base Information

• Chemical Name: 2-NITRO-4-(TRIFLUOROMETHOXY)PHENOL
• CAS No.: 129644-56-0
• Molecular Formula: C7H4F3NO4
• Molecular Weight: 223.108
• Hs Code.: 2909500000
• DSSTox Substance ID: DTXSID60379688
• Wikidata: Q82169607
• Mol file: 129644-56-0.mol

Synonyms:Phenol,2-nitro-4-(trifluoromethoxy);Nitro-4-(trifluoromethoxy)phenol;PC2782;4-trifluoromethoxy-2-nitrophenol;2-Nitro-4-trifluoromethoxyphenol;

Chemical Property of 2-NITRO-4-(TRIFLUOROMETHOXY)PHENOL

Chemical Property:

• Vapor Pressure: 0.0247mmHg at 25°C
• Boiling Point: 240.3oC at 760 mmHg
• PKA: 6.12±0.14(Predicted)
• Flash Point: 99.1oC
• PSA: 75.28000
• Density: 1.592g/cm3
• LogP: 2.72220
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 223.00924210
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

98%min ^*data from raw suppliers

2-Nitro-4-(Trifluoromethoxy)Phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OC(F)(F)F)[N+](=O)[O-])O

Technology Process of 2-NITRO-4-(TRIFLUOROMETHOXY)PHENOL

There total 3 articles about 2-NITRO-4-(TRIFLUOROMETHOXY)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: 89.0%

Iron(111)nitrate nonahydrate + 4-Trifluoromethoxyphenol (828-27-3) → 2-nitro-4-(trifluoromethoxy)phenol (129644-56-0)

Guidance literature:

In ethanol;

Reference yield: 83.0%

4-Trifluoromethoxyphenol (828-27-3) → 2-nitro-4-(trifluoromethoxy)phenol (129644-56-0)

Guidance literature:

In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; nitric acid;

Reference yield:

trans-N2-(4-{4-Amino-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo [3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)benzo[b]furan-2-carboxamide P + 4-Trifluoromethoxyphenol (828-27-3) → 2-nitro-4-(trifluoromethoxy)phenol (129644-56-0)

Guidance literature:

With nitronium tetrafluoroborate; In sulfolane; 1,2-dimethoxyethane; n-heptane; ethyl acetate;

upstream raw materials:

4-Trifluoromethoxyphenol

Downstream raw materials:

5-trifluoromethoxy-2-hydroxyaniline

3-chloro-N-[2-hydroxy-5-(trifluoromethoxy)phenyl]isonicotinamide

N-[5-(trifluoromethoxy)-2-hydroxyphenyl]isonicotinamide

ethyl [2-nitro-4-(trifluoromethoxy)phenoxy]acetate

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