1-Chloro-2-fluorobenzene

Base Information

• Chemical Name: 1-Chloro-2-fluorobenzene
• CAS No.: 348-51-6
• Molecular Formula: C6H4ClF
• Molecular Weight: 130.549
• Hs Code.: 29049090
• European Community (EC) Number: 206-476-8
• NSC Number: 10270
• UNII: JUQ2V3V2AA
• DSSTox Substance ID: DTXSID8059841
• Nikkaji Number: J95.439J
• Wikidata: Q72450499
• Mol file: 348-51-6.mol

Synonyms:1-CHLORO-2-FLUOROBENZENE;348-51-6;2-Chlorofluorobenzene;o-Chlorofluorobenzene;Benzene, 1-chloro-2-fluoro-;o-Fluorochlorobenzene;Benzene, chlorofluoro-;1-Fluoro-2-chlorobenzene;1-chloro-2-fluoro-benzene;C6H4ClF;CHLOROFLUOROBENZENE;2-chloro-1-fluorobenzene;NSC 10270;EINECS 206-476-8;NSC-10270;o-Chorofluorobenzene;ortho-chlorofluorobenzene;JUQ2V3V2AA;SCHEMBL168042;DTXSID8059841;1-Chloro-2-fluorobenzene, 98%;1-Chloro-2-fluorobenzene, 99%;DIETHYL5-HYDANTOYLPHOSPHONATE;NSC10270;MFCD00000533;AKOS005063959;AM61470;DS-1906;A6119;FT-0607597;EN300-20293;A20498;M-Chlorofluorobenzene;1-chloro-3-fluoro-benzen;J-504498

Chemical Property of 1-Chloro-2-fluorobenzene

Chemical Property:

• Appearance/Colour: Clear colourless to light yellow liquid
• Vapor Pressure: 0.791mmHg at 25°C
• Melting Point: -43--42 °C(lit.)
• Refractive Index: n20/D 1.501(lit.)
• Boiling Point: 136.2 °C at 760 mmHg
• Flash Point: 30.6 °C
• PSA: 0.00000
• Density: 1.236 g/cm³
• LogP: 2.47910
• Storage Temp.: Flammables area
• Water Solubility.: 501.9mg/L(25 oC)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 129.9985560
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

99% ^*data from raw suppliers

1-Chloro-2-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T, Xi
• Hazard Codes: Xi,F,T
• Statements: 10-36/38-36/37/38-39/23/24/25-23/24/25-11
• Safety Statements: 16-26-36/37-37/39-45-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1=CC=C(C(=C1)F)Cl
• Uses: 1-Chloro-2-fluorobenzene was used in the 9F NMR analysis of conversion of 3,4-fluoro- and 3-chloro-4-fluoroaniline by Rhodococcus sp. strain. It was used in microwave-assisted traceless rapid synthesis of benzimidazolones on Ameba resin.

Technology Process of 1-Chloro-2-fluorobenzene

There total 43 articles about 1-Chloro-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: 83.0%

4-chloro-4,5,5-trifluoro-1-cyclohexene (252936-43-9) → 1-chloro-2-fluorobenzene (348-51-6) + ortho-difluorobenzene (367-11-3)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; potassium hydroxide; In water; at 75 - 95 ℃; for 4.5h;

DOI:10.1007/s11172-020-2724-8

Reference yield: 72.0%

2-chloro-2,3,3-trifluoro-1-vinylcyclobutane (697-14-3) → fluorobenzene (462-06-6) + 1-chloro-2-fluorobenzene (348-51-6) + ortho-difluorobenzene (367-11-3) + 3-chlorofluorobenzene (625-98-9)

Guidance literature:

With silicon carbide; at 600 ℃; Product distribution; other cyclobutanes; other reagents, var. temp.;

DOI:10.1016/S0022-1139(00)80398-X

Reference yield: 36.5%

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → fluorobenzene (462-06-6) + 1-chloro-2-fluorobenzene (348-51-6) + 1-Chloro-4-fluorobenzene (352-33-0) + chlorobenzene (108-90-7)

Guidance literature:

With chlorine pentafluoride; In tetrachloromethane; at 0 ℃; low ClF₅ concentration;

DOI:10.1016/S0022-1139(00)81475-X

upstream raw materials:

3-chloro-4-fluorophenylamine

o-fluorobromobenzene

fluorobenzene

3-chloro-4-fluoroiodobenzene

Downstream raw materials:

4,4'-Dimethoxybiphenyl

2,2'-difluorobiphenyl

4-methoxy-2'-fluorobiphenyl

3-chloro-4-fluoroacetophenone

Refernces

• 1、 Swenton,J.S.,Bartlett,P.D.. "". . p. 2056 - 2058. Retrieved 1968.
• 2、 Weigert, F. J.,Davis, R. F.. "Aromatization of 2+2 cycloadducts of butadienes and fluoroolefins other than tetrafluoroethylene". . p. 59 - 68. Retrieved 1993.
• 3、 Xu, Peng,López-Rojas, Priscila,Ritter, Tobias. "Radical Decarboxylative Carbometalation of Benzoic Acids: A Solution to Aromatic Decarboxylative Fluorination". supporting information. p. 5349 - 5354. Retrieved 2021/05/05.
• 4、 Yamamoto, Kumiko,Li, Jiakun,Garber, Jeffrey A. O.,Rolfes, Julian D.,Boursalian, Gregory B.,Borghs, Jannik C.,Genicot, Christophe,Jacq, Jér?me,Van Gastel, Maurice,Neese, Frank,Ritter, Tobias. "Palladium-catalysed electrophilic aromatic C-H fluorination". . p. 511 - 514. Retrieved 2018/03/02.