3-Fluoro-4-hydroxy-5-methoxybenzaldehyde

Basic Information

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CAS Number

79418-78-3

Molecular Formula

C8H7FO3

Molecular Weight

170.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

114-118 °C

Boiling Point

114-118℃

Density

1.331

Flash Point

104.1 °C

Refractive Index

1.564

SMILES

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COC1=C(C(=CC(=C1)C=O)F)O

InChI

InChI=1S/C8H7FO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3

InChIKey

OOGOFUKAJDPHDJ-UHFFFAOYSA-N

LogP

1.3523999999999998

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

162

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

Sensitiveness

Air Sensitive

Synonyms & References

English

AKOS005257166
3-fluoro-5-methoxy-4-hydroxybenzaldehyde
CL8325
SY031494
3-fluoro-4-hydroxy-5-(methyloxy)benzaldehyde
AM84048
3-fluoro-4-hydroxy-5-methoxy benzaldehyde
5-Fluorovanillin
SCHEMBL564282
CS-W008224
3-Fluoro-4-hydroxy-5-methoxybenzaldehyde
DTXSID70344640
A9908
3-Fluoro-4-hydroxy-5-methoxybenzaldehyde #
3-Fluoro-4-hydroxy-5-methoxybenzene
3-Fluoro-4-hydroxy-5-methoxybenzaldehyde, 97%
79418-78-3
MFCD02683560
3-fluoranyl-5-methoxy-4-oxidanyl-benzaldehyde
A839679
J-512482
Benzaldehyde, 3-fluoro-4-hydroxy-5-methoxy-
Z1255450683
EN300-253818
DS-1564
3-fluoro-4-hydroxy-5-methoxy-benzaldehyde
FT-0601958
PS-8705
Benzaldehyde,3-fluoro-4-hydroxy-5-methoxy-
OOGOFUKAJDPHDJ-UHFFFAOYSA-N
PubChem10464

MDL Number

MFCD02683560

Customs Code

2913000090

FAQ

What are the physical and chemical properties of 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde (CAS: 79418-78-3)?

3-Fluoro-4-hydroxy-5-methoxybenzaldehyde (CAS: 79418-78-3) is a white crystalline solid with a molecular weight of approximately 228.16 g/mol. It is slightly soluble in water but soluble in common organic solvents such as ethanol and acetone. This compound is relatively stable under normal conditions but can react with strong bases or oxidizing agents. It is used in various synthetic pathways and can be synthesized from readily available starting materials.

How is 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde (CAS: 79418-78-3) typically synthesized?

3-Fluoro-4-hydroxy-5-methoxybenzaldehyde (CAS: 79418-78-3) is typically synthesized via a multistep process. The first step involves the condensation of 4-hydroxy-5-methoxybenzaldehyde with a fluoroamine derivative, followed by acetylation and hydrogenation. This synthesis requires careful control of temperature and reagents to ensure high selectivity and yield. Suitable catalysts include palladium on carbon and rhodium complexes.

What industries use 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde (CAS: 79418-78-3)?

3-Fluoro-4-hydroxy-5-methoxybenzaldehyde (CAS: 79418-78-3) is primarily used in the pharmaceutical industry for the synthesis of drug intermediates. It also finds applications in the production of dyes, fragrances, and sensors. This compound is a key intermediate in the development of certain anticancer drugs and is essential for the manufacturing of organic electronic devices such as organic light-emitting diodes (OLEDs).

What precautions should be taken when handling 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde (CAS: 79418-78-3)?

When handling 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde (CAS: 79418-78-3), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be used in a well-ventilated area or within a fume hood to minimize exposure. Spills should be cleaned up immediately with appropriate absorbents, and the area should be well-ventilated to remove any airborne particles. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.