4-Fluoro-2-nitrophenol

Base Information

• Chemical Name: 4-Fluoro-2-nitrophenol
• CAS No.: 394-33-2
• Molecular Formula: C6H4FNO3
• Molecular Weight: 157.101
• Hs Code.: 29089000
• European Community (EC) Number: 628-200-9
• NSC Number: 10283
• DSSTox Substance ID: DTXSID2075348
• Nikkaji Number: J540.538F
• Wikidata: Q72475365
• Mol file: 394-33-2.mol

Synonyms:4-Fluoro-2-nitrophenol;394-33-2;2-Nitro-4-fluorophenol;Phenol, 4-fluoro-2-nitro-;MFCD00042528;4-Fluoro-2-nitro-phenol;4-fluoronitrophenol;NSC10283;SCHEMBL229093;4-Fluoro-2-nitrophenol, 99%;DTXSID2075348;BCP21969;NSC 10283;NSC-10283;AKOS004909915;AKOS025395645;AC-3807;CS-W017978;BP-11519;DS-13879;SY013546;A6601;AM20040362;F0367;FT-0618464;EN300-62256;J-510158;Z415740526;34470-83-2

Chemical Property of 4-Fluoro-2-nitrophenol

Chemical Property:

• Appearance/Colour: yellow crystalline powder
• Vapor Pressure: 0.0353mmHg at 25°C
• Melting Point: 75-77 °C(lit.)
• Boiling Point: 234.1 °C at 760 mmHg
• PKA: 6.76±0.14(Predicted)
• Flash Point: 95.4 °C
• PSA: 66.05000
• Density: 1.511 g/cm³
• LogP: 1.96270
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 157.01752115
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-2-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, Xn
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrophenols
• Canonical SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])O
• Uses: 4-Fluoro-2-nitrophenol may be used in the preparation of 5-fluoro-2-methoxyanilineand 5-fluoro-2-hydroxyaniline.

Technology Process of 4-Fluoro-2-nitrophenol

There total 21 articles about 4-Fluoro-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: 99.6%

4-Fluorophenol (371-41-5) → 2-nitro-4-fluorophenol (394-33-2)

Guidance literature:

With nitric acid; In sulfuric acid; at 25 ℃; Rate constant; various acid concentrations;

DOI:10.1039/P29830000075

Reference yield: 93.0%

4-fluoro-1-methoxy-2-nitrobenzene (445-83-0) → 2-nitro-4-fluorophenol (394-33-2)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at -5 - 25 ℃;

DOI:10.3184/030823410X12708998015900

Reference yield: 80.0%

4-amino-2-nitrophenol (119-34-6) → 2-nitro-4-fluorophenol (394-33-2)

Guidance literature:

With pyridine hydrogenfluoride; sodium nitrite; 1.) O deg C, 20 min, 2.) 100 deg C, 1 h;

DOI:10.1016/0040-4020(95)00867-8

upstream raw materials:

4-Fluorophenol

1,4-difluoro-2-nitrobenzene

4-fluoro-1-methoxy-2-nitrobenzene

4-fluoro-2-nitro-phenetole

Downstream raw materials:

ethyl 4-fluoro-2-nitrophenoxyacetate

4-fluoro-1-methoxy-2-nitrobenzene

2-amino-4-fluorophenol

2-(benzyloxy)-5-fluoroaniline