2,3-Difluoro-4-methoxybenzonitrile

Basic Information

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CAS Number

256417-12-6

Molecular Formula

C8H5F2NO

Molecular Weight

158.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

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

82-85°C

SMILES

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COC1=C(C(=C(C=C1)C#N)F)F

InChI

InChI=1S/C8H5F2NO/c1-12-6-3-2-5(4-11)7(9)8(6)10/h2-3H,1H3

InChIKey

WCUIDHSEDJPJKI-UHFFFAOYSA-N

LogP

2.2818199999999997

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

201

Safety Information

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GHS Hazard Pictograms

H311

H302

H332

H315

H319

Hazard Statement

H311 Toxic in contact with skin
Acute toxicity, dermal

H302 Harmful if swallowed
Acute toxicity, oral

H332 Harmful if inhaled
Acute toxicity, inhalation

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

AS-11098
A817941
AM61409
AKOS005254220
MFCD03428596
2,3-DIFLUORO-4-CYANOANISOLE
DTXSID70590701
Benzonitrile, 2,3-difluoro-4-methoxy-
SCHEMBL9723166
FT-0655327
2,3-Difluoro-4-methoxybenzonitrile
256417-12-6
2,3-bis(fluoranyl)-4-methoxy-benzenecarbonitrile
A5155
2,3-difluoro-4-methoxybenzenecarbonitrile
2,3-Difluoro-4-methoxybenzoicacid
4-Cyano-2,3-difluoroanisole
4-Methoxy-2,3-difluorobenzonitrile

MDL Number

MFCD03428596

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2,3-Difluoro-4-methoxybenzonitrile (CAS: 256417-12-6)?

2,3-Difluoro-4-methoxybenzonitrile is a colorless solid with a melting point of 54-55°C. Its molecular weight is 198.08 g/mol. It is slightly soluble in water but has good solubility in organic solvents like ethanol and acetone. Chemically, it is moderately reactive, particularly towards nucleophiles and electrophiles. It is used as an intermediate in various synthetic pathways and exhibits good reactivity in electrophilic aromatic substitution reactions.

How is 2,3-Difluoro-4-methoxybenzonitrile (CAS: 256417-12-6) typically synthesized?

2,3-Difluoro-4-methoxybenzonitrile is commonly synthesized via the reaction of 4-methoxybenzonitrile with fluorine gas under anhydrous conditions, catalyzed by a suitable fluorinating agent such as tetrafluoroethylene. The process provides good yield and selectivity for the desired product. Other methods include the use of direct fluorination or sequential fluorination and methoxylation reactions.

What industries use 2,3-Difluoro-4-methoxybenzonitrile (CAS: 256417-12-6)?

2,3-Difluoro-4-methoxybenzonitrile (CAS: 256417-12-6) is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the polymer industry as a monomer or precursor. Additionally, it is utilized in the development of sensors and semiconductors due to its specific chemical and physical properties.

What precautions should be taken when handling 2,3-Difluoro-4-methoxybenzonitrile (CAS: 256417-12-6)?

When handling 2,3-Difluoro-4-methoxybenzonitrile (CAS: 256417-12-6), it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure work is conducted in a well-ventilated area or a fume hood. Spills should be handled with caution and cleaned up using appropriate methods. Always consult the Safety Data Sheet (SDS) for detailed information on safe handling and emergency procedures.