1,3-Dichloro-2-fluorobenzene

Base Information

• Chemical Name: 1,3-Dichloro-2-fluorobenzene
• CAS No.: 2268-05-5
• Molecular Formula: C6H3Cl2F
• Molecular Weight: 164.994
• Hs Code.: 2903999090
• European Community (EC) Number: 607-128-1
• DSSTox Substance ID: DTXSID50177211
• Nikkaji Number: J106.072D
• Wikidata: Q72466223
• Mol file: 2268-05-5.mol

Synonyms:2,6-Dichlorofluorobenzene;1,3-Dichloro-2-fluorobenzene;2268-05-5;Benzene, 1,3-dichloro-2-fluoro-;1,3-Dichloro-2-fluoro-benzene;2,6-Dichloro-1-fluorobenzene;Benzene,1,3-dichloro-2-fluoro-;MFCD00010307;2,6-dichloro fluoro benzene;SCHEMBL320817;DTXSID50177211;1,3-Dichloro-2-fluorobenzene, 98%;AKOS006223202;AC-3198;CS-W013241;FS-4027;AM20060914;D2485;FT-0610613;EN300-117092;J-503890

Chemical Property of 1,3-Dichloro-2-fluorobenzene

Chemical Property:

• Appearance/Colour: slightly beige transparent crystals
• Vapor Pressure: 2.14mmHg at 25°C
• Melting Point: 37-40 °C(lit.)
• Refractive Index: 1.525
• Boiling Point: 168.5 °C at 760 mmHg
• Flash Point: 60 °C
• PSA: 0.00000
• Density: 1.403 g/cm³
• LogP: 3.13250
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 163.9595836
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

99%min ^*data from raw suppliers

2,6-Dichlorofluorobenzene ^*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=CC(=C(C(=C1)Cl)F)Cl

Technology Process of 1,3-Dichloro-2-fluorobenzene

There total 14 articles about 1,3-Dichloro-2-fluorobenzene 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: 93.0%

1-chloro-2-fluoro-3-nitrobenzene (2106-49-2) → 1,3-dichloro-2-fluorobenzene (2268-05-5)

Guidance literature:

With chlorine; at 180 - 190 ℃; Temperature;

Reference yield: 86.0%

3,5-dichloro-4-fluorophenylamine (2729-34-2) → 1,3-dichloro-2-fluorobenzene (2268-05-5)

Guidance literature:

3,5-dichloro-4-fluorophenylamine; With nitrosylsulfuric acid; at 10 - 15 ℃; for 6h;

With copper(I) oxide; sodium hypophosphite; sulfuric acid; water; for 1h;

Reference yield: 53.0%

1-bromo-2,6-dichlorobenzene (19393-92-1) → 1,3-dichloro-2-fluorobenzene (2268-05-5)

Guidance literature:

1-bromo-2,6-dichlorobenzene; With TurboGrignard; In tetrahydrofuran; 1,4-dioxane; at 0 ℃; Inert atmosphere;

With N-fluorobis(benzenesulfon)imide; In dichloromethane; octadecafluorodecahydronaphthalene (cis+trans); at -78 - 20 ℃; Inert atmosphere;

DOI:10.1055/s-0029-1218816

upstream raw materials:

2,6-Dichloroaniline

1,2,3-trichlorobenzene

1-bromo-2,6-dichlorobenzene

2,6-Dichlorophenol

Downstream raw materials:

1,3-dichloro-2-fluoro-4-nitrobenzene

C₁₆H₁₃Cl₃O₃

2,6-dichloro-N,N-diphenylbenzenamine

2-bromo-4,5,6-trifluoroaniline

Refernces

• 1、 -. "O-dichlorobenzene with a quinolone drugs for coproduction method of key intermediate". . . Retrieved 2017/01/19.
• 2、 Yamada, Shigeyuki,Knochel, Paul. "Large-scale preparation of aromatic fluorides via electrophilic fluorination with functionalized aryl- or heteroarylmagnesium reagents". experimental part. p. 2490 - 2494. Retrieved 2010/09/04.