3-Chloro-2,4-difluorobenzonitrile

Base Information

• Chemical Name: 3-Chloro-2,4-difluorobenzonitrile
• CAS No.: 887267-38-1
• Molecular Formula: C7H2 Cl F2 N
• Molecular Weight: 173.549
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID10598483
• Wikidata: Q72518335
• Mol file: 887267-38-1.mol

Synonyms:3-Chloro-2,4-difluorobenzonitrile;887267-38-1;3-Chloro-2,4-difluoro-benzonitrile;Benzonitrile, 3-chloro-2,4-difluoro-;3-?Chloro-?2,?4-?difluorobenzonitrile;SCHEMBL2730532;DTXSID10598483;GPMCRPWQJBLUIO-UHFFFAOYSA-N;2,4-difluoro-3-chlorobenzonitrile;MFCD06658267;AKOS005063946;AC-4038;AM62134;DS-1681;3-Chloro-2 pound not4-difluorobenzonitrile;DB-005289;A20932

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

Chemical Property:

• Vapor Pressure: 0.21mmHg at 25°C
• Refractive Index: 1.513
• Boiling Point: 208.8ºC at 760 mmHg
• Flash Point: 80.1ºC
• PSA: 23.79000
• Density: 1.43g/cm3
• LogP: 2.48988
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 172.9843831
• Heavy Atom Count: 11
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1C#N)F)Cl)F

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

There total 4 articles about 3-Chloro-2,4-difluorobenzonitrile 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:

2,3,4-tri-chloro-benzonitrile (2112-31-4) → 3-chloro-2,4-difluorobenzonitrile (887267-38-1)

Guidance literature:

With potassium fluoride; In N,N-dimethyl-formamide; at 140 - 160 ℃; Temperature;

Reference yield:

1,2,3-trichlorobenzene (87-61-6) → 3-chloro-2,4-difluorobenzonitrile (887267-38-1)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid; N-Bromosuccinimide / 0.5 h / 10 - 30 °C

2: N,N-dimethyl-formamide / 140 - 160 °C

3: potassium fluoride / N,N-dimethyl-formamide / 140 - 160 °C

With potassium fluoride; N-Bromosuccinimide; sulfuric acid; In N,N-dimethyl-formamide;

Reference yield:

1-bromo-2,3,4-trichlorobenzene (81067-37-0) → 3-chloro-2,4-difluorobenzonitrile (887267-38-1)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide / 140 - 160 °C

2: potassium fluoride / N,N-dimethyl-formamide / 140 - 160 °C

With potassium fluoride; In N,N-dimethyl-formamide;

upstream raw materials:

1,2,3-trichlorobenzene

1-bromo-2,3,4-trichlorobenzene

2,3,4-tri-chloro-benzonitrile

Downstream raw materials:

tert-butyl methyl (2-chloro-4-cyano-3-fluorophenyl)malonate

di-tert-butyl (2-chloro-4-cyano-3-fluorophenyl)propanedioate

(2-chloro-4-cyano-3-fluorophenyl)acetic acid

methyl (2-chloro-4-cyano-3-fluorophenyl)acetate