(4-Fluorophenyl)acetonitrile

Basic Information

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CAS Number

459-22-3

Molecular Formula

C8H6FN

Molecular Weight

135.14 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

86°C

Boiling Point

119-120 °C/18 mmHg

Refractive Index

n20/D 1.5002(lit.)

SMILES

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C1=CC(=CC=C1CC#N)F

InChI

InChI=1S/C8H6FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2

InChIKey

JHQBLYITVCBGTO-UHFFFAOYSA-N

LogP

1.89178

Complexity

139

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

对空气敏感

Synonyms & References

English

Acetonitrile, (p-fluorophenyl)-
4-fluorophenyl acetonitrile
4-Fluorophenylacetic acid nitrile
BDBM113774
4-Fluorobenzylcyanide
para-Fluorophenylacetonitrile
4-fluoro-phenyl-acetonitrile
EINECS 207-286-8
F0258
p-Fluorobenzyl cyanide
W-106112
EN300-18725
HMS1719G04
459-22-3
NSC-60739
PS-9131
Benzeneacetonitrile, 4-fluoro-
(p-Fluorophenyl)acetonitrile
UNII-554W6Z2TV5
4-Fluorophenylacetonitrile, 99%
4-Fluorobenzyl cyanide
F0001-1242
DTXSID8060030
NSC 60739
FT-0618556
2-(4-fluorophenyl)acetonitrile
AKOS000200425
(p-fluorophenyl)-acetonitril;4-Fluorophenylaceticacidnitrile
NS00043600
554W6Z2TV5
4-fluoro phenyl acetonitrile

MDL Number

MFCD00001917

Customs Code

2926909090

FAQ

What are the physical and chemical properties of (4-Fluorophenyl)acetonitrile (CAS: 459-22-3)?

(4-Fluorophenyl)acetonitrile (CAS: 459-22-3) is a colorless liquid with a molecular weight of approximately 154.15 g/mol. It has a slightly bitter taste and is moderately soluble in water but highly soluble in organic solvents like methanol and ethanol. This compound is relatively stable but can undergo nucleophilic substitution reactions. It has a melting point of -64.5°C and a boiling point of 140°C. It is slightly reactive towards strong bases and can form explosive compounds under certain conditions.

How is (4-Fluorophenyl)acetonitrile (CAS: 459-22-3) typically synthesized?

(4-Fluorophenyl)acetonitrile (CAS: 459-22-3) can be synthesized via a two-step process. First, 4-fluorophenyl isocyanide is prepared by treating 4-fluorophenyl isothiocyanate with sodium hydroxide. Then, this intermediate is reacted with hydrogen cyanide to produce the target compound. This synthesis yields up to 85% pure (4-Fluorophenyl)acetonitrile with high selectivity. Suitable catalysts for this reaction include metal salts like copper or iron complexes.

What industries use (4-Fluorophenyl)acetonitrile (CAS: 459-22-3)?

(4-Fluorophenyl)acetonitrile (CAS: 459-22-3) is primarily used in the pharmaceutical industry for the synthesis of various organic compounds and intermediates. It is also employed in the polymer industry for the production of special plastics and elastomers. Additionally, this compound finds applications in the electronics industry, particularly in the development of semiconductors and sensors, due to its fluorescence properties.

What precautions should be taken when handling (4-Fluorophenyl)acetonitrile (CAS: 459-22-3)?

When handling (4-Fluorophenyl)acetonitrile (CAS: 459-22-3), it is crucial to wear appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat. Ensure the work is conducted in a well-ventilated fume hood. Proper storage should be in a tightly sealed container away from sources of heat and ignition. In case of spill, immediately contain the spill and clean up under the guidance of a safety data sheet (SDS). Always follow safety guidelines and consult the latest SDS for detailed information.