3,5-Dichloro-2,4-difluoroaniline

Base Information

• Chemical Name: 3,5-Dichloro-2,4-difluoroaniline
• CAS No.: 83121-15-7
• Molecular Formula: C6H3Cl2F2N
• Molecular Weight: 197.999
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID90378826
• Nikkaji Number: J246.539F
• Wikidata: Q72462851
• Mol file: 83121-15-7.mol

Synonyms:1-amino-3,5-dichloro-2,4-difluorophenyl;3,5-dichloro-2,4-difluoroaniline

Chemical Property of 3,5-Dichloro-2,4-difluoroaniline

Chemical Property:

• Vapor Pressure: 0.00784mmHg at 25°C
• Melting Point: 75 °C
• Refractive Index: 1.562
• Boiling Point: 268.1 °C at 760 mmHg
• PKA: 1.15±0.10(Predicted)
• Flash Point: 116 °C
• PSA: 26.02000
• Density: 1.596 g/cm³
• LogP: 3.43500
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 196.9610608
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

98% ^*data from raw suppliers

3,5-Dichloro-2,4-difluoroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1Cl)F)Cl)F)N

Technology Process of 3,5-Dichloro-2,4-difluoroaniline

There total 6 articles about 3,5-Dichloro-2,4-difluoroaniline 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: 96.0%

2,4-difluoro-3,5-dichloro-nitrobenzene (15952-70-2) → 3,5-dichloro-2,4-difluoro-aniline (83121-15-7)

Guidance literature:

With iron; ammonium chloride; In water; 1,2-dichloro-ethane; for 2h; Reflux;

Reference yield:

2,3,4,5-tetrafluoro-1-nitrobenzene (5580-79-0) → 3,5-dichloro-2,4-difluoro-aniline (83121-15-7)

Guidance literature:

palladium-carbon;

Reference yield:

1,2,3-trichlorobenzene (87-61-6) → 3,5-dichloro-2,4-difluoro-aniline (83121-15-7)

Guidance literature:

Multi-step reaction with 6 steps

1.1: nitric acid; sulfuric acid / 1,2-dichloro-ethane / 2.5 h / 50 - 60 °C

2.1: iron; ammonium chloride / 1,2-dichloro-ethane; water / 2 h / Reflux

3.1: sodium nitrite; hydrogenchloride / water / 1 h / -5 - 5 °C

3.2: 1 h / 50 - 80 °C

4.1: nitric acid; sulfuric acid / 1,2-dichloro-ethane / 10 h / 0 - 50 °C

5.1: potassium fluoride; tetrabutylammomium bromide / sulfolane; toluene / 16 h / 135 °C

6.1: iron; ammonium chloride / 1,2-dichloro-ethane; water / 2 h / Reflux

With hydrogenchloride; potassium fluoride; sulfuric acid; tetrabutylammomium bromide; nitric acid; iron; ammonium chloride; sodium nitrite; In sulfolane; water; 1,2-dichloro-ethane; toluene; 3.1: |Sandmeyer Reaction / 3.2: |Sandmeyer Reaction;

upstream raw materials:

2,3,4,5-tetrafluoro-1-nitrobenzene

2,4-difluoro-3,5-dichloro-nitrobenzene

1,2,3-trichlorobenzene

4-nitro-1,2,3-trichlorobenzene

Downstream raw materials:

1,3,5-trichloro-2,4-difluorobenzene

3,5-dichloro-2,4-difluoro-phenyl-isocyanate

teflubenzuron

1-(3,5-dichloro-2,4-difluorophenyl)-3-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]urea

Refernces

• 1、 -. "Process for preparing a quinolone-carboxylic acid". . . Retrieved 2008/06/13.