1,4-Dichloro-2,5-difluorobenzene

Base Information

• Chemical Name: 1,4-Dichloro-2,5-difluorobenzene
• CAS No.: 400-05-5
• Molecular Formula: C₆H₂Cl₂F₂
• Molecular Weight: 182.985
• Hs Code.: 2903999090
• NSC Number: 10243
• DSSTox Substance ID: DTXSID50193057
• Wikidata: Q83065774
• Mol file: 400-05-5.mol

Synonyms:1,4-dichloro-2,5-difluorobenzene;400-05-5;Benzene, 1,4-dichloro-2,5-difluoro-;NSC10243;SCHEMBL23351729;DTXSID50193057;MFCD13193245;NSC 10243;NSC-10243;Benzene,1,4-dichloro-2,5-difluoro-;BS-50085;CS-0327455;A856653

Chemical Property of 1,4-Dichloro-2,5-difluorobenzene

Chemical Property:

• Vapor Pressure: 1.91mmHg at 25°C
• Melting Point: 48-49 °C
• Refractive Index: 1.503
• Boiling Point: 170.9 °C at 760 mmHg
• Flash Point: 59 °C
• PSA: 0.00000
• Density: 1.502 g/cm³
• LogP: 3.27160
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 181.9501618
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

99%, ^*data from raw suppliers

1,4-Dichloro-2,5-difluorobenzene 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,4-Dichloro-2,5-difluorobenzene

There total 4 articles about 1,4-Dichloro-2,5-difluorobenzene 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:

para-difluorobenzene (540-36-3) → 1,4-dichloro-2,5-difluoro-benzene (400-05-5)

Guidance literature:

With disulfur dichloride; aluminium trichloride; sulfuryl dichloride;

DOI:10.1021/ja01145a055

Reference yield:

N-(3,5-difluorophenyl)acetamide (404-01-3) → 1,4-dichloro-2,5-difluoro-benzene (400-05-5)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄; HNO₃

With sulfuric acid; nitric acid;

DOI:10.1021/ja01145a055

Reference yield:

(2,5-difluorophenyl)acetanilide (398-90-3) → 1,4-dichloro-2,5-difluoro-benzene (400-05-5)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄; HNO₃

With sulfuric acid; nitric acid;

DOI:10.1021/ja01145a055

upstream raw materials:

para-difluorobenzene

2,5-difluoro-4-nitroaniline

N-(3,5-difluorophenyl)acetamide

(2,5-difluorophenyl)acetanilide