Isonicotinaldehyde

Basic Information

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CAS Number

872-85-5

Molecular Formula

C6H5NO

Molecular Weight

107.11 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Liquid

Melting Point

-4--2 ºC

Boiling Point

187°C

Density

1.137 g/mL at 20 °C

Water Solubility

20 g/L (20 ºC)

Solubility

20g/l

Refractive Index

n20/D 1.544(lit.)

SMILES

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O=Cc1ccncc1

InChI

InChI=1S/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5H

InChIKey

BGUWFUQJCDRPTL-UHFFFAOYSA-N

LogP

0.8940999999999999

pKa

12.05(at 30℃)

Topological Polar Surface Area

29.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

76.6

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

Hazard Class

Class 3 Class 3

Sensitiveness

Air Sensitive

Synonyms & References

English

4-Pyridinecarboxaldehyde
4-FORMYLPYRIDINE
ISONICOTINALDEHYDE
ISONICOTINEALDEHYDE
PYRIDINE-4-ALDEHYDE
PYRIDINE-4-CARBALDEHYDE
PYRIDINE-4-CARBOXALDEHYDE
TIMTEC-BB SBB004357
4-Formylpyrdine
4-Pyridinealdehyde
Isonicotinic aldehyde
p-Pyridinealdehyde
Pyridine-4-aldehylde
Pyridine-3-carboxyaldehyde
4-Pyridine carboxadehyde
4-Pyridinecarboxalde
4-pyridinecarbonaldehyde
4-pyridine-carboxaldehyde
4-pyridinecarboxyaldehyde
4-Pyridylaldehyde
Pyridin-4-al
pyridin-4-yl-carboxaldehyde
pyridine-4-monocarboxaldehyde
p-Formylpyridine
4-Pyridinecarbaldehyde
BGUWFUQJCDRPTL-UHFFFAOYSA-N
(4-Pyridinecarboxaldehyde)
4-picolinaldehyde
NSC8953
4-Formyl-pyridine
gamma-Formylpyridine

MDL Number

MFCD00006425

Customs Code

2933399010

FAQ

What is Isonicotinaldehyde (CAS: 872-85-5)?

Isonicotinaldehyde, with the CAS number 872-85-5, is a chemical compound with the formula C6H5NO. It is a white crystalline solid that is soluble in water and organic solvents. Isonicotinaldehyde is known for its aromatic structure and serves as a versatile intermediate in various chemical syntheses.

What are the main uses of Isonicotinaldehyde (CAS: 872-85-5)?

Isonicotinaldehyde is widely used in the pharmaceutical industry as a key component in the synthesis of drugs such as nicotinic acid and various antibiotics. It also finds applications in the production of dyes, polymers, and fragrances. Additionally, it is used in research for the development of new chemical compounds and materials.

Is Isonicotinaldehyde (CAS: 872-85-5) safe?

Isonicotinaldehyde is generally considered safe when handled properly, but it can be harmful if inhaled, ingested, or comes into contact with skin. It is important to follow safety guidelines, including the use of protective gloves, goggles, and ventilation. Always adhere to OSHA and EPA regulations for safe handling and disposal.

How should Isonicotinaldehyde (CAS: 872-85-5) be stored?

Isonicotinaldehyde should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is recommended to keep it in a sealed container made of glass or plastic to prevent exposure to air. Storage conditions should maintain a temperature below 25°C and avoid any contact with incompatible substances.