2,6-difluorobenzonitrile

Basic Information

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CAS Number

1897-52-5

Molecular Formula

C7H3F2N

Molecular Weight

128.12 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

25-28 °C

Boiling Point

197-198 °C

Refractive Index

n20/D 1.4875(lit.)

SMILES

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

InChI

InChI=1S/C7H6F2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3

InChIKey

MZLSNIREOQCDED-UHFFFAOYSA-N

LogP

2.2732200000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

150

Safety Information

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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

2,6-Difluorobenzonitrile, 97%
1J58Z42A2E
SCHEMBL186269
Benzonitrile, 2,6-difluoro-
D1650
BB 0238642
2,6-Difluoro-benzonitrile
AC-10723
EINECS 217-589-7
BNBRIFIJRKJGEI-UHFFFAOYSA-
W-107744
NCGC00256626-01
BP-12716
AM20060063
Z104476532
Q27252485
2,6-difluorobenznitrile
2,6 difluorobenzonitrile
AKOS000119992
PS-9074
InChI=1/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
CAS-1897-52-5
CHEMBL3185302
DTXCID3024609
2,6-Difluro benzonitrile
EC 217-589-7
FT-0649245
F0001-0683
1897-52-5
2,6-Difluorobenzonitrile
EN300-20037

MDL Number

MFCD00001778

Customs Code

2942000000

FAQ

What is 2,6-difluorobenzonitrile (CAS: 1897-52-5)?

2,6-Difluorobenzonitrile (CAS: 1897-52-5) is an aromatic organic compound with the chemical formula C6H3F2CN. It features a benzene ring substituted with two fluorine atoms at the 2 and 6 positions and a nitrile group (-CN) at the 1 position. This compound is typically a colorless liquid with a sharp odor, known for its stability and reactivity in chemical reactions. It is widely used as an intermediate in organic synthesis.

What are the main uses of 2,6-difluorobenzonitrile (CAS: 1897-52-5)?

2,6-Difluorobenzonitrile (CAS: 1897-52-5) is primarily used in pharmaceuticals as a building block for drug development, particularly in compounds requiring fluorine substitution. It also serves as an industrial chemical in the production of dyes, pesticides, and specialty polymers. In research, it is employed for synthesizing fluorinated derivatives and functionalized materials. Its unique structure makes it valuable in agrochemical and material science applications.

Is 2,6-difluorobenzonitrile (CAS: 1897-52-5) safe?

2,6-Difluorobenzonitrile (CAS: 1897-52-5) requires careful handling due to its potential toxicity. Inhalation or skin contact may cause irritation, and it is classified as a hazardous substance under OSHA and EPA guidelines. Precautions include using personal protective equipment (PPE), ensuring proper ventilation, and avoiding ingestion. Safety standards emphasize storage in sealed containers and adherence to chemical safety protocols to minimize risks.

How should 2,6-difluorobenzonitrile (CAS: 1897-52-5) be stored?

2,6-Difluorobenzonitrile (CAS: 1897-52-5) should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in airtight, glass or stainless steel containers to prevent contamination. Maintain storage conditions at temperatures below 25°C and ensure humidity levels are low. Avoid exposure to incompatible materials and keep it in a designated chemical storage cabinet for stability and safety.