3,4-Difluorobenzonitrile

Basic Information

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CAS Number

64248-62-0

Molecular Formula

C7H3F2N

Molecular Weight

139.1 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

50.0 to 54.0 deg-C

Boiling Point

95°C/45mmHg

Density

1.2490 (estimate)

SMILES

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C1=CC(=C(C=C1C#N)F)F

InChI

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

InChIKey

BTBFCBQZFMQBNT-UHFFFAOYSA-N

LogP

1.83648

Complexity

160

Safety Information

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GHS Hazard Pictograms

H228

H302

H312

H315

H319

H332

H335

Hazard Statement

H228 Flammable solid
Flammable solids

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 4.1 Class 4.1

Synonyms & References

English

3,4-difluoro-benzonitrile
PS-9075
FT-0656716
3,4 difluorobenzonitrile
A20946
CK2139
AC-4061
FT-0614280
4-Cyano-1,2-difluorobenzene
64248-62-0
3,4-Difluorobenzonitrile
AKOS005254280
EN300-43934
4-fluoro-3-fluorobenzonitrile
NS00053400
SCHEMBL229147
(2-(4-Fluorophenyl)ethene-1,1-diyl)dibenzene
MFCD00011666
3,4-Difluorobenzonitrile, 98%
W-104855
DTXSID00214463
Benzonitrile, 3,4-difluoro-
EINECS 264-751-8
BTBFCBQZFMQBNT-UHFFFAOYSA-
InChI=1/C7H3F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
CS-W020712
AM20040945
3,4-Difluorobenznitriled
4-CYANO-1,2-DIFLUOROBENZENE
3,4-Difluorobenzonit
3,4-difluorobenzylnitrile

MDL Number

MFCD00011666

Customs Code

2926909090

FAQ

What is 3,4-Difluorobenzonitrile (CAS: 64248-62-0)?

3,4-Difluorobenzonitrile (CAS: 64248-62-0) is an organic compound with the chemical formula C6H4F2CN. It features a benzene ring substituted with two fluorine atoms at positions 3 and 4, and a nitrile group (-CN) at position 1. This compound is typically a white crystalline solid, known for its stability and reactivity in chemical reactions, making it valuable in synthetic chemistry applications.

What are the main uses of 3,4-Difluorobenzonitrile (CAS: 64248-62-0)?

3,4-Difluorobenzonitrile (CAS: 64248-62-0) is widely used in pharmaceuticals as a precursor for drug development, in industrial processes for polymer synthesis, and in research for creating fluorinated derivatives. Its applications also extend to organic chemistry as an intermediate in the production of dyes, agrochemicals, and specialty chemicals due to its unique chemical structure and functional groups.

Is 3,4-Difluorobenzonitrile (CAS: 64248-62-0) safe?

3,4-Difluorobenzonitrile (CAS: 64248-62-0) requires careful handling due to potential toxicity. Inhalation or skin contact may cause irritation, and it is classified as a hazardous substance under OSHA and EPA guidelines. Protective measures such as gloves, goggles, and proper ventilation are essential. Always follow safety protocols for chemical exposure and disposal to ensure workplace safety.

How should 3,4-Difluorobenzonitrile (CAS: 64248-62-0) be stored?

3,4-Difluorobenzonitrile (CAS: 64248-62-0) should be stored in a cool, dry place (ideally below 25°C), away from light and moisture. Keep in a sealed, inert container such as glass or HDPE to maintain stability. Avoid exposure to strong oxidizers or reactive materials to prevent degradation or hazardous reactions.