5-Fluoro-2-hydroxybenzonitrile

Basic Information

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CAS Number

91407-41-9

Molecular Formula

C7H4FNO

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

120-121 ºC

Boiling Point

263.8±25.0 ºC (760 Torr),

Density

1.34±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

113.3±23.2 ºC,

SMILES

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C1=CC(=C(C=C1F)C#N)O

InChI

InChI=1S/C7H4FNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H

InChIKey

MWLKQSIMPLORKX-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

162

Synonyms & References

English

5-Fluoro-2-hydroxybenzonitrile
Benzonitrile, 5-fluoro-2-hydroxy-
2-Cyano-4-fluorophenol
2-Hydroxy-5-fluorobenzonitrile
MWLKQSIMPLORKX-UHFFFAOYSA-N
5308AC
MB10100
SY026609
5-fluoro-2-hydroxybenzonitrile, AldrichCPR
ST24024085
5-Fluoro-2-hydroxybenzonitrile (ACI)
s10862
2-CYANO-4-FLUOROPHENOL
DTXSID10512947
91407-41-9
DB-090930
MFCD11846513
DS-18643
CS-W005093
SCHEMBL378846
AKOS012980550

MDL Number

MFCD11846513

FAQ

What are the physical and chemical properties of 5-Fluoro-2-hydroxybenzonitrile (CAS: 91407-41-9)?

5-Fluoro-2-hydroxybenzonitrile is a white to light yellow crystalline solid with a molecular weight of approximately 164.06 g/mol. It is slightly soluble in water and soluble in organic solvents like ethanol and methanol. Chemically, it is less reactive than other benzonitriles but shows moderate reactivity towards nucleophiles and electrophiles. It has a melting point of around 118-119°C and a boiling point of approximately 260-265°C. Given its properties, it is often used in organic synthesis and pharmaceutical applications.

How is 5-Fluoro-2-hydroxybenzonitrile (CAS: 91407-41-9) typically synthesized?

5-Fluoro-2-hydroxybenzonitrile can be synthesized through the reaction of 2-hydroxybenzonitrile with fluorine in the presence of an appropriate catalyst, such as sulfuryl fluoride. The reaction is selective and yields a high percentage of the desired product. The process typically requires low temperatures and careful handling to avoid side reactions. The yield can be up to 90%, depending on the purity of the starting materials and reaction conditions.

What industries use 5-Fluoro-2-hydroxybenzonitrile (CAS: 91407-41-9)?

5-Fluoro-2-hydroxybenzonitrile is primarily used in the pharmaceutical industry for the synthesis of various organic compounds and drug intermediates. It also finds applications in the polymer industry for the production of certain resins and monomers. In addition, it is used in the development of chemical sensors and semiconductors due to its unique chemical properties. Its versatility makes it a valuable compound across multiple sectors.

What precautions should be taken when handling 5-Fluoro-2-hydroxybenzonitrile (CAS: 91407-41-9)?

When handling 5-Fluoro-2-hydroxybenzonitrile, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to the compound. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly rinsed with water. Always refer to the Safety Data Sheet (SDS) for detailed safety information and follow all safety guidelines to ensure safe handling and disposal of the compound.