3-Pyridinecarboxaldehyde (3pa)

CAS Number: 500-22-1

Molecular Formula: C6H5NO

Purity: 18.03%

Intermediate for agrochemical formulationsIntermediate for pharma APIsSynthesis of complex moleculesEco-friendly SynthesisREACH (EU) RegisteredAgro Pymetrozine Intermediate

About 3-Pyridinecarboxaldehyde (3pa)

3-Pyridinecarboxaldehyde (CAS 500-22-1), also known as nicotinaldehyde or pyridine-3-carbaldehyde, is a high-value heterocyclic aldehyde widely used in pharmaceutical synthesis, agrochemical intermediates, and specialty chemical manufacturing across the United States. It is a reactive heterocyclic aromatic aldehyde com...

Variants

P3A Solution

CAS: 500-22-1

Synonyms

3-pyridinaldehyde
nicotinaldehyde

3-Pyridinecarboxaldehyde (3pa) Specifications

CAS Number

500-22-1

Molecular Formula

C6H5NO

IUPAC Name

pyridine-3-carbaldehyde

Canonical SMILES

C1=CC(=CN=C1)C=O

InChI Key

QJZUKDFHGGYHMC-UHFFFAOYSA-N

InChI

1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H (or) 1S/C6H5NO/c8-4-6-2-1-3-7-5-6/h1-5H

PubChem CID

10371

EINECS Number

207-900-4

MDL Number

MFCD00003229

UNSPSC Code

12161707

eClass

38-13-02-01

NACRES

NA.22

HSN No

29333990

CAS Number

500-22-1

Molecular Formula

C6H5NO

IUPAC Name

pyridine-3-carbaldehyde

Canonical SMILES

C1=CC(=CN=C1)C=O

InChI Key

QJZUKDFHGGYHMC-UHFFFAOYSA-N

InChI

1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H (or) 1S/C6H5NO/c8-4-6-2-1-3-7-5-6/h1-5H

PubChem CID

10371

EINECS Number

207-900-4

MDL Number

MFCD00003229

UNSPSC Code

12161707

eClass

38-13-02-01

NACRES

NA.22

HSN No

29333990

Appearance

Yellow to brown color liquid

Odor

Pungent

Melting Point

-30°C

Boiling Point

168-170°C

3pa Purity by HPLC

18.03%

3pa Assay by HPLC Area

90.60%

Relative Density

1.064 gm/ml

Solubility

Miscible in Water

Vapor Pressure

0.3 mmHg at 25°C

Acute Toxicity

Oral LD50 (Rat): 500-2000 mg/kg

Hazard Classification

o Flammable liquid and vapor o Harmful if swallowed o Causes skin irritation o May cause an allergic skin reaction o May cause respiratory irritation o Harmful to aquatic life with long-lasting effects

H-Statements

o H226: Flammable liquid and vapor o H302: Harmful if swallowed o H315: Causes skin irritation o H317: May cause an allergic skin reaction o H335: May cause respiratory irritation o H412: Harmful to aquatic life with long-lasting effects o P210: Keep away from heat, hot surfaces, sparks, open flames, and other ignition sources.

P-Statements

No smoking. o P233: Keep container tightly closed. o P273: Avoid release to the environment. o P280: Wear protective gloves, protective clothing, eye protection, face protection, and hearing protection. o P301 + P312: IF SWALLOWED: Call a POISON CENTER or doctor if you feel unwell. o P303 + P361 + P353: IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water.

Agrochemicals

A direct precursor in the synthesis of Pymetrozine and other pyridine-containing pesticides and herbicides across global crop protection programs, valued for the metabolic stability and bioavailability advantages conferred by the pyridine scaffold in modern agrochemical design

Flavors & Fragrance

Catalogued as an antimicrobial agent with functional utility in flavor and fragrance ingredient formulations; documented as a naturally occurring aromatic component in tobacco chemistry with relevance to F&F regulatory frameworks in the US.

Research & Laboratory Reagent

Supplied to US pharmaceutical R&D labs, CROs, and academic institutions as a building block and reaction substrate, with documented utility in asymmetric synthesis (diethylzinc additions using chiral catalysts to yield enantioenriched 3-pyridyl alkanols), medicinal chemistry screening, and heterocyclic chemistry research.

Pharmaceutical Synthesis & API Intermediates

Used extensively across the US pharmaceutical and biotech supply chain as a key building block for synthesizing active pharmaceutical ingredients (APIs) targeting anti-inflammatory, anticancer, CNS, antimicrobial, and antifungal indications.

Handling

Avoid all personal contact, including inhalation. Use in a well-ventilated area away from ignition sources. Wear protective clothing when risk of exposure occurs.

Storage

Store in original containers in approved flammable liquid storage areas. Keep containers tightly closed in a cool, dry, well-ventilated place away from incompatible materials.