(2-Fluorophenyl)(oxo)acetonitrile

Basic Information

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CAS Number

80277-41-4

Molecular Formula

C8H4FNO

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C8H4FNO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4H

InChIKey

IVSCDQIYFFRLFZ-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

205

Synonyms & References

English

2-FLUOROBENZOYL CYANIDE
DS-8176
(2-FLUORO-PHENYL)-OXO-ACETONITRILE
2-FLUOROBENZOYLCYANIDE
SY104664
A839881
BCP06461
MFCD06658449
Benzeneacetonitrile,2-fluoro-a-oxo-
Benzeneacetonitrile, 2-fluoro-alpha-oxo- (9CI)
(2-FLUOROPHENYL)OXO-ACETONITRILE
(2-Fluorophenyl)(oxo)acetonitrile
(2-Floro-phenyl)-oxo-acetonitrile
IVSCDQIYFFRLFZ-UHFFFAOYSA-N
DTXSID90519454
SCHEMBL6934144
CS-0108811
SB38831
(2-fluorophenyl)-oxo-acetonitrile
AB1449
AKOS006292868
2-Fluoro-Alpha-Oxo-Benzeneacetonitrile
80277-41-4
2-Fluorobenzene-1-carbonyl cyanide
2-Fluorobenzoyl cyanide
Benzeneacetonitrile,2-fluoro-a-oxo
o-fluorobenzoyl cyanide
o-Fluorphenylglyoxylonitril
AK154692
FCH853130
EBD222801

MDL Number

MFCD06658449

Customs Code

2926909090

FAQ

What are the physical and chemical properties of (2-Fluorophenyl)(oxo)acetonitrile (CAS: 80277-41-4)?

(2-Fluorophenyl)(oxo)acetonitrile is a crystalline solid with a molecular weight of approximately 183.14 g/mol. It has a melting point of around 58-59°C and is slightly soluble in water. This compound exhibits moderate reactivity, particularly towards nucleophiles and bases. It is used in organic synthesis and as a precursor in various chemical processes.

How is (2-Fluorophenyl)(oxo)acetonitrile (CAS: 80277-41-4) typically synthesized?

(2-Fluorophenyl)(oxo)acetonitrile can be synthesized via the reaction of 2-fluorophenylacetonitrile with an appropriate oxidizing agent. Common methods include using potassium permanganate or nitric acid as the oxidant. The reaction is known to proceed with good yield and selectivity, but precise conditions must be controlled to avoid side reactions.

What industries use (2-Fluorophenyl)(oxo)acetonitrile (CAS: 80277-41-4)?

(2-Fluorophenyl)(oxo)acetonitrile is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in organic chemistry and chemical research as a precursor in synthetic pathways. Additionally, it has applications in polymer synthesis and as a chemical reagent in analytical methods.

What precautions should be taken when handling (2-Fluorophenyl)(oxo)acetonitrile (CAS: 80277-41-4)?

When handling (2-Fluorophenyl)(oxo)acetonitrile, appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Emergency procedures and an SDS (Safety Data Sheet) should be readily available for reference in case of accidents. Storage should be in a cool, dry place away from incompatible materials.