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2-Fluorobiphenyl

Short Description:

  • Chemical Name:2-Fluorobiphenyl
  • CAS No.:321-60-8
  • Molecular Formula:C12H9F
  • Molecular Weight:172.202
  • Hs Code.:29036990
  • European Community (EC) Number:206-290-7
  • NSC Number:10366
  • UN Number:3077
  • UNII:KC8Q87V4QY
  • DSSTox Substance ID:DTXSID5047744
  • Nikkaji Number:J27B
  • Wikidata:Q63409297
  • ChEMBL ID:CHEMBL122521
  • Mol file:321-60-8.mol

Product Detail

Product Tags

2-Fluorobiphenyl 321-60-8

Synonyms:2-Fluorobiphenyl;321-60-8;2-Fluoro-1,1'-biphenyl;o-Fluorodiphenyl;1-fluoro-2-phenylbenzene;Biphenyl, 2-fluoro-;ortho-Fluorodiphenyl;1,1'-Biphenyl, 2-fluoro-;2-Fluoro-biphenyl;C12H9F;CCRIS 1659;EINECS 206-290-7;NSC 10366;KC8Q87V4QY;DTXSID5047744;MFCD00000317;NSC-10366;2-Fluoro-(2',3',4',5',6'-2H5)-1,1'-biphenyl;64420-95-7;o-Fluorobiphenyl;2-Fluorodiphenyl;NSC10366;1, 2-fluoro-;2-Fluorobiphenyl, 96%;UNII-KC8Q87V4QY;SCHEMBL201614;CHEMBL122521;DTXCID5027728;KLECYOQFQXJYBC-UHFFFAOYSA-;AMY21864;Tox21_202912;AC8710;AKOS006222514;CS-W017594;NCGC00260458-01;CAS-321-60-8;LS-44386;PS-11571;SY032390;2-Fluorobiphenyl, purum, >=98.0% (GC);F0265;FT-0612430;10.14272/KLECYOQFQXJYBC-UHFFFAOYSA-N;2-Fluorobiphenyl 2000 microg/mL in Cyclohexane;A821178;doi:10.14272/KLECYOQFQXJYBC-UHFFFAOYSA-N;W-106853;Q63409297

Chemical Property of 2-Fluorobiphenyl

● Appearance/Colour:Off-white Crystalline powder
● Vapor Pressure:1.11E-08mmHg at 25°C
● Melting Point:71-74 °C(lit.)
● Refractive Index:1.607
● Boiling Point:248 °C at 760 mmHg
● Flash Point:94.4 °C
● PSA0.00000
● Density:1.083 g/cm3
● LogP:3.49270

● Storage Temp.:Store below +30°C.
● Water Solubility.:Soluble in alcohol, ether. Insoluble in water.
● XLogP3:4
● Hydrogen Bond Donor Count:0
● Hydrogen Bond Acceptor Count:1
● Rotatable Bond Count:1
● Exact Mass:172.068828449
● Heavy Atom Count:13
● Complexity:149
● Transport DOT Label:Class 9

Safty Information

● Pictogram(s):XnXn, CT, XiXi
● Hazard Codes:Xi,T,Xn,N
● Statements:36/37/38-63-43-23/24/25-45-40-50/53-41-37/38-22-52/53
● Safety Statements:22-24/25-36/37/39-36/37-23-53-61-60-39-26

Useful

 

Chemical Classes:Other Classes -> Halogenated Polyaromatics
Canonical SMILES:C1=CC=C(C=C1)C2=CC=CC=C2F
Uses:2-Fluorobiphenyl is used as pharmaceuticals, veterinary drugs and organic synthesis intermediates. 2-Fluorobiphenyl was used as an internal standard for analysis of environmental pollutants in sediments using pressurized liquid extraction and gas chromatography-mass spectrometry, as a sole carbon & energy source for P. pseudoalcaligenes.

 

Detailed Introduction

2-Fluorobiphenyl, also known as ortho-fluorobiphenyl, is a chemical compound consisting of a biphenyl molecule with a fluorine atom attached to one of the phenyl rings. Its chemical formula is C12H9F.
2-Fluorobiphenyl is a colorless to pale yellow liquid with a molecular weight of approximately 178.20 g/mol. It has a melting point range of 68-70 °C and a boiling point of 272 °C. The compound has a density of around 1.15 g/cm³.
The synthesis of 2-fluorobiphenyl can be achieved through various methods, including the reaction of fluorobenzene with phenyl lithium or phenyl Grignard reagents. It can also be synthesized via palladium-catalyzed cross-coupling reactions between fluorobenzene and phenylboronic acid.
In terms of applications, 2-fluorobiphenyl is often employed as a starting material or building block in organic synthesis. It is utilized in the production of pharmaceuticals, agrochemicals, and specialty chemicals. The incorporation of fluorine atoms into organic compounds can significantly influence their reactivity and properties.
Furthermore, the compound finds applications in medicinal chemistry, where the introduction of fluorine can enhance the potency, selectivity, and metabolic stability of drug molecules. It is also utilized in material science, specifically in the synthesis of fluorinated polymers with improved thermal stability, chemical resistance, and low surface energy. These polymers are used in coatings, films, membranes, and other specialty materials.
As with any chemical, caution should be taken when handling 2-fluorobiphenyl. It should be used in a well-ventilated area, and appropriate protective gear, including gloves, goggles, and lab coats, should be worn. Proper storage and disposal methods should also be followed in accordance with safety regulations.

Application

2-Fluorobiphenyl has several potential uses and applications. Here are a few examples:
Chemical synthesis: 2-Fluorobiphenyl can serve as a starting material or building block in the synthesis of various organic compounds. It can enable the introduction of a fluorine atom into more complex molecules, which can impart desirable properties such as increased chemical stability or altered biological activity.
Pharmaceuticals: The structural modification of organic molecules with fluorine atoms, known as fluorination, has gained attention in the pharmaceutical industry. Fluorinated compounds often exhibit improved drug-like properties, such as enhanced metabolic stability, increased lipophilicity, and improved bioavailability. Thus, 2-Fluorobiphenyl can potentially be used as a fluorinating agent in the synthesis of fluorinated pharmaceuticals.
Materials science: Fluorinated organic compounds are used in the development of advanced materials with unique properties. For instance, 2-Fluorobiphenyl can be incorporated into polymers, resins, and coatings to enhance their thermal stability, chemical resistance, and electrical properties.
Research and development: 2-Fluorobiphenyl can be used as a reference compound or standard in analytical techniques, such as gas chromatography, to identify and quantify organic compounds in various samples. It can also be utilized as a model compound for studying chemical reactions or investigating the behavior of fluorinated compounds in different environments.
These are just a few examples of the potential utilization of 2-Fluorobiphenyl. It is important to note that specific applications may require additional modifications or combination with other compounds to achieve the desired properties or functionality.


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