1-Chloro-2,4-difluorobenzene

Base Information

• Chemical Name: 1-Chloro-2,4-difluorobenzene
• CAS No.: 1435-44-5
• Molecular Formula: C6H3ClF2
• Molecular Weight: 148.54
• Hs Code.: 29039990
• NSC Number: 10254
• DSSTox Substance ID: DTXSID10162441
• Nikkaji Number: J1.512.790B
• Wikidata: Q72462725
• Mol file: 1435-44-5.mol

Synonyms:1-Chloro-2,4-difluorobenzene;1435-44-5;2,4-Difluorochlorobenzene;Benzene, 1-chloro-2,4-difluoro-;Benzene,1-chloro-2,4-difluoro-;1-chloro-2,4-difluoro-benzene;MFCD00042569;NSC10254;2,4-di-fluorochlorobenzene;1chloro-2,4-difluorobenzene;SCHEMBL168149;DTXSID10162441;CK2366;NSC 10254;NSC-10254;1-Chloro-2,4-difluorobenzene, 98%;AKOS006222508;AM61329;AC-14080;AS-45893;C1830;CS-0110151;FT-0610098;EN300-115836;A808083

Chemical Property of 1-Chloro-2,4-difluorobenzene

Chemical Property:

• Appearance/Colour: Clear colourless to light yellow liquid
• Melting Point: -26 °C
• Refractive Index: n20/D 1.475(lit.)
• Boiling Point: 126.999 °C at 760 mmHg
• Flash Point: 32.778 °C
• PSA: 0.00000
• Density: 1.353 g/cm³
• LogP: 2.61820
• Storage Temp.: Flammables area
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 147.9891341
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

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

1-Chloro-2,4-difluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F
• Hazard Codes: Xi,F
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)F)Cl
• Uses: 1-Chloro-2,4-difluorobenzene was used in the preparation of series of benzonorbornadienes. It was also used in the preparation of difluoroarenes.

Technology Process of 1-Chloro-2,4-difluorobenzene

There total 9 articles about 1-Chloro-2,4-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:

2,6-difluoro-3-chlorobenzoic acid (225104-76-7) → 1-chloro-2,4-difluorobenzene (1435-44-5)

Guidance literature:

With [Rh(OH)(cod)]2; 1,3-bis-(diphenylphosphino)propane; water; sodium hydroxide; In toluene; at 110 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ol100001b

Reference yield:

2,4-Difluor-benzoldiazonium-chlorid (90802-25-8) → 1-chloro-2,4-difluorobenzene (1435-44-5)

Guidance literature:

With hydrogenchloride; water; copper(l) chloride; at 0 ℃;

DOI:10.1021/ja01592a073

Reference yield:

chlorobenzene (108-90-7) → 1-chloro-2-fluorobenzene (348-51-6) + 1-Chloro-4-fluorobenzene (352-33-0) + 3-chlorofluorobenzene (625-98-9) + 1-chloro-2,4-difluorobenzene (1435-44-5) + 4-chloro-1,2-difluorobenzene (696-02-6) + 1-chloro-2,5-difluorobenzene (2367-91-1)

Guidance literature:

With xenon difluoride; boron trifluoride diethyl etherate; at 0 - 25 ℃; Reagent/catalyst; Cooling with ice;

DOI:10.1134/S1070428016100055

upstream raw materials:

2,4-Difluor-benzoldiazonium-chlorid

2,4-dichlorobenzenesulfonyl fluoride

1-chloro-2,6-difluorobenzene

acetonitrile

Downstream raw materials:

1,3-Difluorobenzene

chloroacetonitrile

5-chloro-2,4-difluoro-1-iodobenzene

2,6-difluoro-3-chlorobenzoic acid

Refernces

• 1、 Lozada, Jerome,Liu, Zhibo,Perrin, David M.. "Base-promoted protodeboronation of 2,6-disubstituted arylboronic acids". supporting information. p. 5365 - 5368. Retrieved 2014/06/23.
• 2、 Sun, Zhong-Ming,Zhang, Jing,Zhao, Pinjing. "Rh(I)-catalyzed decarboxylative transformations of arenecarboxylic acids: Ligand- and reagent-controlled selectivity toward hydrodecarboxylation or heck-mizoroki products". supporting information; experimental part. p. 992 - 995. Retrieved 2010/06/16.