3-Fluoro-4-nitroaniline

Base Information

• Chemical Name: 3-Fluoro-4-nitroaniline
• CAS No.: 2369-13-3
• Molecular Formula: C6H5FN2O2
• Molecular Weight: 156.116
• Hs Code.: 29214200
• European Community (EC) Number: 219-130-6
• NSC Number: 402983
• UNII: 95M6U5ADA2
• DSSTox Substance ID: DTXSID00178354
• Nikkaji Number: J213.225G
• Wikidata: Q72475122
• Mol file: 2369-13-3.mol

Synonyms:3-Fluoro-4-nitroaniline;2369-13-3;Benzenamine, 3-fluoro-4-nitro-;3-Fluoro-4-nitro-phenylamine;MFCD03412239;3-fluoro-4-nitrobenzenamine;EINECS 219-130-6;NSC-402983;4-nitro-3-fluoroaniline;3-Fluoro-4-nitro-1-benzenamine;NSC402983;3-fluor-4-nitroaniline;Aniline, 3-fluoro-4-nitro-;SCHEMBL350687;95M6U5ADA2;DTXSID00178354;BCP05899;CS-D1432;BBL100418;STL554212;3-fluoro-4-nitroaniline, AldrichCPR;AKOS005254503;AC-3741;NSC 402983;SB76540;AS-14541;SY014350;A4943;AM20030414;F0787;FT-0600703;EN300-44948;AE-562/43461461;W-107383

Chemical Property of 3-Fluoro-4-nitroaniline

Chemical Property:

• Vapor Pressure: 0.000121mmHg at 25°C
• Melting Point: 152-157 °C
• Refractive Index: 1.603
• Boiling Point: 335.2 °C at 760 mmHg
• PKA: -0.02±0.10(Predicted)
• Flash Point: 156.6 °C
• PSA: 71.84000
• Density: 1.448 g/cm³
• LogP: 2.42050
• Storage Temp.: Room temperature.
• Solubility.: soluble in Methanol
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 156.03350557
• Heavy Atom Count: 11
• Complexity: 159

Purity/Quality:

97% ^*data from raw suppliers

3-Fluoro-4-nitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 26-36/37/39-36/37-9

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)F)[N+](=O)[O-]

Technology Process of 3-Fluoro-4-nitroaniline

There total 14 articles about 3-Fluoro-4-nitroaniline 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: 99.0%

N-(3-fluoro-4-nitro-phenyl)-2,2-dimethyl-propionamide (1152311-98-2) → 3-fluoro-4-nitroaniline (2369-13-3)

Guidance literature:

N-(3-fluoro-4-nitro-phenyl)-2,2-dimethyl-propionamide; With hydrogenchloride; In dichloromethane; water; for 2h; Reflux;

With potassium carbonate; In dichloromethane; water; ethyl acetate;

Reference yield: 98.0%

2,4-Difluoronitrobenzene (446-35-5) → 3-fluoro-4-nitroaniline (2369-13-3) + 5-fluoro-2-nitroaniline (2369-11-1)

Guidance literature:

With ammonia; at 25 ℃; Kinetics;

DOI:10.1021/jo200170z

Reference yield: 53.0%

potassium tert-butylate (865-47-4) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → 2-(tert-butoxy)-1-nitrobenzene (83747-12-0) + 3-fluoro-4-nitroaniline (2369-13-3) + 2-nitro-aniline (88-74-4)

Guidance literature:

With 2,4,6-trichlorosulfenamide; In N,N-dimethyl-formamide; at 20 ℃; for 0.333333h;

DOI:10.1021/jo970582b

upstream raw materials:

N-(3-fluorophenyl)acetamide

acetic anhydride

meta-fluoroaniline

benzaldehyde

Downstream raw materials:

2,4-Difluoronitrobenzene

2-fluoro-4-iodo-1-nitrobenzene

N-(3-fluoro-4-nitrophenyl)cyclohexanecarboxamide

tert-butyl N-(3-fluoro-4-nitrophenyl)carbamate