2,4-Difluorobenzonitrile

Basic Information

View in Editor

CAS Number

3939-09-1

Molecular Formula

C7H3F2N

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

Physical State

Crystalline

Melting Point

46.0 to 49.0 deg-C

Boiling Point

83°C/23mmHg

Refractive Index

1.486

SMILES

View in Editor

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

InChI

InChI=1S/C7H3F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H

InChIKey

LJFDXXUKKMEQKE-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

160

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

Benzonitrile,2,4-difluoro-,radical ion(1-)(9ci)
NS00050000
AM61721
AKOS005063949
2,4-Difluorobenzonitrile, 97%
MFCD00009826
2,4-Difluorobenzonitrile
2,4-difluoro-benzonitrile
D1826
CS-W016482
Benzonitrile,2,4-difluoro-, radical ion(1-) (9CI)
T4A8BQ9ZWK
J-507211
UNII-T4A8BQ9ZWK
EN300-65446
PS-9076
AC-2580
A800754
SCHEMBL57346
2,4-bis(fluoranyl)benzenecarbonitrile
EINECS 223-523-8
3939-09-1
W-106437
InChI=1/C7H3F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
FT-0655533
FT-0610089
DTXSID70192582
103496-86-2
Benzonitrile, 2,4-difluoro-
LJFDXXUKKMEQKE-UHFFFAOYSA-
1,3-Difluor-4-cyanobenzol

MDL Number

MFCD00009826

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2,4-Difluorobenzonitrile (CAS: 3939-09-1)?

2,4-Difluorobenzonitrile (CAS: 3939-09-1) is a colorless or light yellow liquid with a density of approximately 1.12 g/cm³. It has a molecular weight of 138.08 g/mol and a boiling point around 174-175°C. Soluble in common organic solvents like ethanol and chloroform. It reacts readily with nucleophiles and can act as a cyanide source in chemical syntheses.

How is 2,4-Difluorobenzonitrile (CAS: 3939-09-1) typically synthesized?

2,4-Difluorobenzonitrile (CAS: 3939-09-1) can be synthesized via the reaction of 2,4-difluorobenzoyl chloride with ammonia or an amines. Alternatively, it can be prepared by fluorination of 2,4-dinitrobenzonitrile followed by reduction of the nitro groups. Common catalysts include Lewis acids or transition metals.

What industries use 2,4-Difluorobenzonitrile (CAS: 3939-09-1)?

2,4-Difluorobenzonitrile (CAS: 3939-09-1) is used in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients, in polymer chemistry as a monomer, and in the development of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 2,4-Difluorobenzonitrile (CAS: 3939-09-1)?

When handling 2,4-Difluorobenzonitrile (CAS: 3939-09-1), ensure the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Conduct reactions under fume hood to minimize exposure. Spills should be neutralized with an appropriate base and cleaned up using absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.