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21962-45-8 (4-formyl-3-methoxybenzonitrile)

21962-45-8 (4-formyl-3-methoxybenzonitrile) Manufacturers in Hyderabad, India

Overview & Chemical Identity

CAS Number: 21962-45-8

Chemical Name: 4-Formyl-3-methoxybenzonitrile

IUPAC Name: 4-Formyl-3-methoxybenzonitrile

Synonyms:
4-Cyano-2-methoxybenzaldehyde;
3-Methoxy-4-formylbenzonitrile;
Vanillin nitrile derivative

Molecular Formula: C₉H₇NO₂

Molecular Weight: ~161.16 g/mol

Physical & Chemical Properties

Appearance: Off-white to light yellow crystalline powder

Physical State: Solid

Melting Point: Typically reported in the range of 100–110 °C (may vary depending on purity)

Boiling Point: Not well-defined (may decompose at elevated temperatures)

Solubility:
Soluble in common organic solvents such as methanol, ethanol, ethyl acetate, acetone, and DMSO; limited solubility in water

Stability:
Stable under normal laboratory conditions; sensitive to strong oxidizing or reducing agents

Structural & Molecular Identifiers

Functional Groups:

  • Aldehyde group (–CHO)

  • Nitrile group (–C≡N)

  • Methoxy group (–OCH₃)

  • Aromatic benzene ring

Chemical Class:
Aromatic aldehyde / Aromatic nitrile derivative

SMILES (representative):
COC1=C(C=CC(=C1)C=O)C#N

InChI Key (representative):
(Varies by database; available from chemical registries)

Functionality & Applications

Organic Synthesis Intermediate

21962-45-8 is widely used as a multifunctional aromatic building block in organic synthesis due to the presence of reactive aldehyde and nitrile groups. It is particularly valuable for:

  • Carbon–carbon bond formation reactions

  • Condensation reactions (e.g., Knoevenagel reactions)

  • Formation of heterocyclic compounds

  • Schiff base synthesis

The aldehyde functionality allows further derivatization, while the nitrile group enables additional transformation into amides, acids, or heterocycles.

Pharmaceutical & Fine Chemical Synthesis

Used as an intermediate in:

  • Synthesis of active pharmaceutical ingredients (APIs)

  • Agrochemical intermediates

  • Specialty and fine chemical manufacturing

  • Functional material development

Its dual functional groups provide synthetic flexibility for complex molecular design.

Research & Development

Commonly employed in:

  • Academic research laboratories

  • Medicinal chemistry programs

  • Structure–activity relationship (SAR) studies

  • Development of novel aromatic and heterocyclic frameworks

The combination of aldehyde, nitrile, and methoxy substituents enhances its reactivity profile for multi-step synthetic pathways.

Safety & Handling

GHS Classification (typical for similar compounds):

  • Harmful if swallowed

  • Causes skin and eye irritation

  • May cause respiratory irritation

Common Hazard Statements:

  • H302: Harmful if swallowed

  • H315: Causes skin irritation

  • H319: Causes serious eye irritation

  • H335: May cause respiratory irritation

Precautionary Statements:

  • P261: Avoid breathing dust

  • P280: Wear protective gloves and eye protection

  • P305 + P351 + P338: IF IN EYES, rinse cautiously with water and remove contact lenses

  • P301 + P312: IF SWALLOWED, call a doctor if you feel unwell

Handle in a well-ventilated laboratory using appropriate personal protective equipment (PPE).

Practical Details & Supplier Information

Typical Purity: 97–99% (Research and Industrial Grade)

Storage Conditions:

  • Store in a tightly sealed container

  • Keep in a cool, dry, and well-ventilated area

  • Protect from moisture and direct sunlight

  • Keep away from strong oxidizing agents

Commercial Use:
Available from specialty chemical suppliers for research and industrial organic synthesis applications.
Not intended for direct pharmaceutical, food, or diagnostic use without proper regulatory compliance.

Summary Statement

21962-45-8 (4-Formyl-3-methoxybenzonitrile) is an important multifunctional aromatic intermediate widely used in organic synthesis. The presence of aldehyde, nitrile, and methoxy functional groups makes it highly versatile for pharmaceutical, agrochemical, and fine chemical applications, particularly in condensation reactions and heterocyclic compound synthesis.

As a trusted manufacturer and supplier in Hyderabad, SriniChem provides high-quality 21962-45-8 (4-formyl-3-methoxybenzonitrile) produced under strict quality control standards. Our product, with CAS No: 21962-45-8, is suitable for both research and industrial use. Choose SriniChem for reliable supply, technical expertise, and customer-focused service. Contact SriniChem today for 4-formyl-3-methoxybenzonitrile

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