3,5-Difluoro-2-nitrophenol

Base Information

• Chemical Name: 3,5-Difluoro-2-nitrophenol
• CAS No.: 151414-46-9
• Molecular Formula: C6H3F2NO3
• Molecular Weight: 175.092
• Hs Code.: 2908999090
• European Community (EC) Number: 810-110-8
• DSSTox Substance ID: DTXSID20473712
• Wikidata: Q72463563
• Mol file: 151414-46-9.mol

Synonyms:3,5-difluoro-2-nitrophenol;151414-46-9;Phenol, 3,5-difluoro-2-nitro-;MFCD08458165;3,5-Difluoro-6-nitrophenol;3,5-difluoro-2-nitro-phenol;3,5 difluoro-2-nitrophenol;SCHEMBL1680932;DTXSID20473712;LIQHPNDCQUCZKL-UHFFFAOYSA-N;4,6-difluoro-2-hydroxynitrobenzene;AKOS015890462;AS-3142;3,5-difluoro-2-nitrophenol, AldrichCPR;SY109275;CS-0036890;FT-0654149;EN300-140135;A809171

Chemical Property of 3,5-Difluoro-2-nitrophenol

Chemical Property:

• Vapor Pressure: 0.0229mmHg at 25°C
• Melting Point: 46.1-46.5 °C
• Refractive Index: 1.554
• Boiling Point: 241.6 °C at 760 mmHg
• PKA: 2.60±0.20(Predicted)
• Flash Point: 99.9 °C
• PSA: 66.05000
• Density: 1.619 g/cm³
• LogP: 2.10180
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 175.00809928
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

98%min ^*data from raw suppliers

3,5-Difluoro-2-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)[N+](=O)[O-])F)F

Technology Process of 3,5-Difluoro-2-nitrophenol

There total 10 articles about 3,5-Difluoro-2-nitrophenol 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: 84.0%

→ 3,5-Difluoro-2-nitrophenol (151414-46-9)

Guidance literature:

Reference yield: 81.0%

1,3,5-trifluoro-2-nitrobenzene (315-14-0) + chloroform ethyl acetate (62018-65-9) → 3,5-Difluoro-2-nitrophenol (151414-46-9)

Guidance literature:

With sodium hydroxide; In water; dimethyl sulfoxide;

Reference yield: 27.0%

3,5-difluorophenol (2713-34-0) → 4-hydroxy-2,6-difluoronitrobenzene (147808-41-1) + 3,5-Difluoro-2-nitrophenol (151414-46-9)

Guidance literature:

With nitric acid; In dichloromethane; at 0 ℃; Inert atmosphere of N₂;

upstream raw materials:

1,3,5-trifluoro-2-nitrobenzene

sodium methylate

1,3,5-trifluorobenzene

2,3,4-trifluoronitrobenzene

Downstream raw materials:

2-[(3,5-difluoro-2-nitrophenoxy)methyl]oxirane

2-amino-3,5-difluorophenol

Refernces

• 1、 Malamas, Michael S.,Ni, Yike,Erdei, James,Stange, Hans,Schindler, Rudolf,Lankau, Hans-Joachim,Grunwald, Christian,Fan, Kristi Yi,Parris, Kevin,Langen, Barbara,Egerland, Ute,Hage, Thorsten,Marquis, Karen L.,Grauer, Steve,Brennan, Julie,Navarra, Rachel,Graf, Radka,Harrison, Boyd L.,Robichaud, Albert,Kronbach, Thomas,Pangalos, Menelas N.,Hoefgen, Norbert,Brandon, Nicholas J.. "Highly potent, selective, and orally active phosphodiesterase 10A inhibitors". experimental part. p. 7621 - 7638. Retrieved 2012/01/05.
• 2、 -. "IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES". Page/Page column 32. . Retrieved 2010/06/11.