2-Chloro-3,4-difluoronitrobenzene

Base Information

• Chemical Name: 2-Chloro-3,4-difluoronitrobenzene
• CAS No.: 169468-83-1
• Molecular Formula: C₆H₂ClF₂NO₂
• Molecular Weight: 193.537
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID40531186
• Wikidata: Q72518383
• Mol file: 169468-83-1.mol

Synonyms:2-Chloro-3,4-difluoronitrobenzene;169468-83-1;2-chloro-3,4-difluoro-1-nitrobenzene;3-chloro-1,2-difluoro-4-nitrobenzene;MFCD06658262;2-Chloro-3,4,-difluoronitrobenzene;3-chloro-1,2-difluoro-4-nitro-benzene;Benzene, 2-chloro-3,4-difluoro-1-nitro-;SCHEMBL3723529;DTXSID40531186;AKOS006345236;AC-5971;AM61795;CS-W003305;DS-1635;SY022870;2-Chloro-3 pound not4-difluoronitrobenzene;A20480;3-chloranyl-1,2-bis(fluoranyl)-4-nitro-benzene;EN300-1228952;A838973;J-508630;F0001-2430;2,3-Difluoro-6-nitrochlorobenzene;5,6-Difluoro-2-nitrochlorobenzene;2-Chloro-3,4-difluoro-1-nitrobenzene;1-Chloro-2,3-difluoronitrobenzene

Chemical Property of 2-Chloro-3,4-difluoronitrobenzene

Chemical Property:

• Vapor Pressure: 0.044mmHg at 25°C
• Boiling Point: 245.8oC at 760 mmHg
• Flash Point: 102.5oC
• PSA: 45.82000
• Density: 1.591g/cm3
• LogP: 3.04960
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 192.9742123
• Heavy Atom Count: 12
• Complexity: 187

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloro-3,4-difluoronitrobenzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-3,4-difluoronitrobenzene

There total 1 articles about 2-Chloro-3,4-difluoronitrobenzene 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:

3,4-dichloro-1,1,2,2-tetrafluorocyclohexane → 1-chloro-2,3-difluoro-4-nitrobenzene (169468-80-8) + 2-chloro-3,4-difluoro-1-nitrobenzene (169468-83-1)

Guidance literature:

Multi-step reaction with 2 steps

1: N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide / 7 h / 25 - 90 °C

2: sulfuric acid; nitric acid / 3 h / 10 - 20 °C

With sulfuric acid; N-benzyl-N,N,N-triethylammonium chloride; nitric acid; sodium hydroxide;

DOI:10.1007/s11172-021-3327-8

Reference yield: 84.0%

2-chloro-3,4-difluoro-1-nitrobenzene (169468-83-1) → 2-fluoro-3-chloro-4-nitrophenol (1805115-08-5)

Guidance literature:

With potassium hydroxide; In water; dimethyl sulfoxide; at 20 - 55 ℃; for 10h; regioselective reaction;

DOI:10.1007/s11172-021-3327-8

Reference yield:

2-chloro-3,4-difluoro-1-nitrobenzene (169468-83-1) → 2-chloro-4-(ethylthio)-3-fluoroaniline

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 1 h / Inert atmosphere; Reflux

2: platinum on carbon; acetic acid; hydrogen / ethyl acetate / 18 h / 50 °C / 750.08 Torr

With platinum on carbon; hydrogen; acetic acid; In tetrahydrofuran; ethyl acetate;

DOI:10.1021/op8000355

Downstream raw materials:

2-fluoro-3-chloro-4-nitrophenol

Refernces