2-Fluoro-5-[(3-oxo-2-benzofuran-1(3H)-ylidene)methyl]benzonitrile

Basic Information

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CAS Number

763114-25-6

Molecular Formula

C16H8FNO2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Density

1.38

SMILES

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C1=CC=C2C(=C1)C(=CC3=CC(=C(C=C3)F)C#N)OC2=O

InChI

InChI=1S/C16H8FNO2/c17-14-6-5-10(7-11(14)9-18)8-15-12-3-1-2-4-13(12)16(19)20-15/h1-8H

InChIKey

MMPHWTMMVPBHRZ-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

478

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

C16H8FNO2
CS-0370601
2-Fluoro-5-[(Z)-(3-oxo-2-benzofuran-1(3H)-ylidene)methyl]benzonitrile
2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile
AMY8702
(Z)-2-fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]benzonitrile
SCHEMBL1689358
2-Fluoro-5-((3-oxo-1(3H)-isobenzofuranylidene)methyl)-benzonitrile
DS-17743
2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
1379825-89-4
2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile
EN300-7357837
CS-12356
DTXSID90704560
2-Fluoro-5-[[3-oxoisobenzofuran-1(3H)-ylidene]methyl]benzonitrile
A899949
MFCD13181869
2-fluoro-5-{[(1Z)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]methyl}benzonitrile
CS-M0105
763114-25-6
3-(3-cyano-4-fluorobenzylidene)isobenzofuran-1(3H)-one
E)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile
Z)-(3-oxo-2-benzofuran-1(3H)-ylidene)methyl]benzonitrile
1871AC
Benzonitrile,2-

MDL Number

MFCD13181869

Customs Code

2932209090

FAQ

What is 2-Fluoro-5-[(3-oxo-2-benzofuran-1(3H)-ylidene)methyl]benzonitrile (CAS: 763114-25-6)?

2-Fluoro-5-[(3-oxo-2-benzofuran-1(3H)-ylidene)methyl]benzonitrile is a synthetic organic compound with the CAS number 763114-25-6. It contains a nitrile group and a substituted benzofuran ring, making it a potential candidate for pharmaceutical and chemical research. The compound is known for its structural complexity and may exhibit specific chemical reactivity due to the presence of fluorine and carbonyl functionalities.

What are the main uses of 2-Fluoro-5-[(3-oxo-2-benzofuran-1(3H)-ylidene)methyl]benzonitrile (CAS: 763114-25-6)?

This compound is primarily used in pharmaceutical research for the development of potential drug candidates, particularly those targeting metabolic disorders. It may also find applications in organic synthesis as a building block for more complex molecules. Its unique structure makes it relevant in chemical studies involving functional group transformations and reactivity patterns.

Is 2-Fluoro-5-[(3-oxo-2-benzofuran-1(3H)-ylidene)methyl]benzonitrile (CAS: 763114-25-6) safe?

The safety of 2-Fluoro-5-[(3-oxo-2-benzofuran-1(3H)-ylidene)methyl]benzonitrile depends on its specific application and exposure conditions. As a chemical compound, it should be handled with appropriate protective measures, such as gloves and goggles, to avoid skin or eye contact. Safety data is limited, so it is advisable to follow standard chemical safety protocols and consult material safety data sheets (MSDS) for detailed information.

How should 2-Fluoro-5-[(3-oxo-2-benzofuran-1(3H)-ylidene)methyl]benzonitrile (CAS: 763114-25-6) be stored?

This compound should be stored in a cool, dry, and light-protected environment to maintain its stability. It is recommended to keep it in a sealed container at a temperature below 25°C and away from moisture. Proper storage conditions are essential to prevent degradation and ensure the compound remains chemically active for research or industrial use.