2,6-Difluoro-4-methoxybenzonitrile

Basic Information

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CAS Number

123843-66-3

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

53-57℃

Boiling Point

212 ºC

Flash Point

82 ºC

SMILES

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

InChI

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

InChIKey

CMGFDVIQHBAJHT-UHFFFAOYSA-N

LogP

2.2818200000000006

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

189

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

MFCD03094498
FT-0653681
4-Cyano-3,5-difluoroanisole;Benzonitrile, 2,6-difluoro-4-methoxy-
A20950
4-Cyano-3,5-difluoroanisole
SCHEMBL186585
2,6-difluoro-4-methoxy-benzonitrile
DIETHYL2-(4-CHLOROPHENYL)-1,1-CYCLOPROPANEDICARBOXYLATE
CS-W017727
AKOS005254847
AB13332
PS-6866
2,6-Difluoro-4-methoxybenzonitrile
AM61748
123843-66-3
CMGFDVIQHBAJHT-UHFFFAOYSA-N
Benzonitrile, 2,6-difluoro-4-methoxy-
SY030323
BCP34259
Benzonitrile,2,6-difluoro-4-methoxy-
3,5-Difluoro -4-cyanoanisole
AC-4063
DTXSID40381123
2,6-Difluoro-4-methoxy-benzonitrile

MDL Number

MFCD03094498

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2,6-Difluoro-4-methoxybenzonitrile (CAS: 123843-66-3)?

2,6-Difluoro-4-methoxybenzonitrile is a colorless to light yellow liquid with a molecular weight of 210.06 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. Chemically, it is relatively stable but reactive towards bases. It decomposes at high temperatures and reacts with reducing agents.

How is 2,6-Difluoro-4-methoxybenzonitrile (CAS: 123843-66-3) typically synthesized?

2,6-Difluoro-4-methoxybenzonitrile is typically synthesized via a nucleophilic aromatic substitution reaction using fluoroform and methoxybenzoyl chloride. The reaction is catalyzed by a Lewis acid such as aluminum chloride, providing good yield and selectivity. The process requires careful control of reaction conditions to achieve high purity.

What industries use 2,6-Difluoro-4-methoxybenzonitrile (CAS: 123843-66-3)?

2,6-Difluoro-4-methoxybenzonitrile is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those targeting metabolic and cardiovascular diseases. It is also utilized in the production of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 2,6-Difluoro-4-methoxybenzonitrile (CAS: 123843-66-3)?

When handling 2,6-Difluoro-4-methoxybenzonitrile, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.