2-Fluoro-4-methoxybenzonitrile

Basic Information

View in Editor

CAS Number

94610-82-9

Molecular Formula

C8H6FNO

Molecular Weight

151.14 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

Physical State

White to Yellow Solid

Melting Point

62-65°C

SMILES

View in Editor

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

InChI

InChI=1S/C8H6FNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,1H3

InChIKey

HWKUZTFIZATJPM-UHFFFAOYSA-N

LogP

1.70598

Complexity

174

Safety Information

View Safety Information

GHS Hazard Pictograms

H331

H302

H312

H315

H319

H335

Hazard Statement

H331 Toxic if inhaled
Acute toxicity, inhalation

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

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-Fluoro-4-methoxybenzonitrile
3-Fluoro-4-cyanoanisole
2-fluoro-4-methoxybenzenecarbonitrile
2-Fluoro-4-methoxy-benzonitrile
3-Fluor-4-cyano-anisol
4-Cyano-3-fluoroanisole
4-methoxy-2-fluorobenzonitrile
benzonitrile,2-fluoro-4-methoxy
fluoro-4-methoxy-benzonitrile
benzonitrile, 2-fluoro-4-methoxy-
3-FLUORO-4-CYANO ANISOLE
3-FLUORO-4-CYANO ANISOL
PubChem4783
KSC494M1T
2-fluor-4-methoxybenzonitrile
HWKUZTFIZATJPM-UHFFFAOYSA-N
WT445
SBB055495
WT220
2-Fluoro-4-methoxybenzonitrile (ACI)
AKOS006343216
DTXCID00299750
DTXSID20348678
AC-4076
MFCD00509374
Z1160930711
EN300-106135
CS-W008288
DB-008199
2-fluoro-4-methoxybenzonitrile
3-fluoro-4-cyanoanisole

MDL Number

MFCD00509374

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2-Fluoro-4-methoxybenzonitrile (CAS: 94610-82-9)?

2-Fluoro-4-methoxybenzonitrile is a colorless to pale yellow liquid with a molecular weight of approximately 183.07 g/mol. It has a melting point of 53-54°C and a boiling point of 176-178°C. The compound is slightly soluble in water but soluble in organic solvents like ethanol and acetone. It is reactive towards nucleophiles and can undergo substitution and addition reactions.

How is 2-Fluoro-4-methoxybenzonitrile (CAS: 94610-82-9) typically synthesized?

2-Fluoro-4-methoxybenzonitrile is typically synthesized via the reaction of 4-methoxybenzonitrile with hydrogen fluoride (HF) or trifluoroacetic acid (TFA) as a catalyst. The reaction yields the desired product with good selectivity. The yield is around 70-80%, and the process is carried out under mild conditions to avoid over-fluorination.

What industries use 2-Fluoro-4-methoxybenzonitrile (CAS: 94610-82-9)?

2-Fluoro-4-methoxybenzonitrile is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the production of organic semiconductors and as a precursor in the development of certain materials for sensors and electronic devices.

What precautions should be taken when handling 2-Fluoro-4-methoxybenzonitrile (CAS: 94610-82-9)?

2-Fluoro-4-methoxybenzonitrile should be handled in a well-ventilated area or a fume hood. It is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Spills should be handled carefully by using absorbent materials, followed by proper disposal as hazardous waste. This material should be stored away from incompatible materials and in a cool, dry place. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.