3-Fluorobenzonitrile

Basic Information

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CAS Number

403-54-3

Molecular Formula

C7H4FN

Molecular Weight

121.11 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

−16 °C

Boiling Point

183°C

Refractive Index

n20/D 1.5043(lit.)

Vapor Pressure

1.0±0.3 mmHg at 25°C

SMILES

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

InChI

InChI=1S/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H

InChIKey

JZTPKAROPNTQQV-UHFFFAOYSA-N

LogP

1.69738

Complexity

135

Safety Information

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GHS Hazard Pictograms

H302

H315

H318

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
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

Synonyms & References

English

AM20060055
Benzonitrile, 3-fluoro-
3-fluoro-Benzonitrile
3-Fluorobenzonitrile
InChI=1/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4
AKOS001079365
Benzonitrile, m-fluoro-
1-Cyano-3-fluorobenzene;m-Fluorobenzonitrile
FT-0615720
3-FLUORO-BENZOIC ACID-NITRILE
403-54-3
3-flourobenzonitrile
AC-2760
F0219
92WAP6RV75
5-fluorobenzonitrile
SCHEMBL38165
UNII-92WAP6RV75
MFCD00001797
NS00043756
EN300-09449
CS-W013568
NSC88310
DTXSID0059954
PS-9224
Z56346951
F9995-1504
NSC-88310
3-Fluorobenzonitrile, 98%
CK2127
W-106358

MDL Number

MFCD00001797

Customs Code

2926909090

FAQ

What is 3-Fluorobenzonitrile (CAS: 403-54-3)?

3-Fluorobenzonitrile is an organic compound with the chemical formula C₆H₅FN. It is a colorless liquid with a faint aromatic odor. This compound is commonly used in the synthesis of pharmaceuticals and dyes due to its reactivity and stability.

What are the main uses of 3-Fluorobenzonitrile (CAS: 403-54-3)?

3-Fluorobenzonitrile is primarily used in the preparation of pharmaceuticals such as antiviral drugs and anti-inflammatory agents. It is also utilized in the production of dyes and as a precursor in organic synthesis for various industrial applications.

Is 3-Fluorobenzonitrile (CAS: 403-54-3) safe?

3-Fluorobenzonitrile is moderately toxic and should be handled with care. It is important to follow safety guidelines, including the use of proper personal protective equipment (PPE) such as gloves and goggles. Storage and handling should comply with standard safety regulations to minimize risks.

How should 3-Fluorobenzonitrile (CAS: 403-54-3) be stored?

3-Fluorobenzonitrile should be stored in a tightly sealed container at room temperature, protected from light and moisture. It is best to keep it in a cool, dry place away from direct heat and sources of ignition. Handling should be done in a well-ventilated area to prevent inhalation of vapors.