1H-Pyrrole-2-carbaldehyde

Basic Information

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CAS Number

1003-29-8

Molecular Formula

C5H5NO

Molecular Weight

95.1 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

44.0 to 48.0 deg-C

Boiling Point

219°C

Water Solubility

Soluble in chloroform, dimethyl sulfoxide and methanol. Insoluble in water.

Refractive Index

1.5939

Vapor Pressure

0.1±0.4 mmHg at 25°C

SMILES

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O=Cc1ccc[nH]1

InChI

InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H

InChIKey

ZSKGQVFRTSEPJT-UHFFFAOYSA-N

LogP

0.8271999999999999

Topological Polar Surface Area

32.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

72.5

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

1H-Pyrrole-2-carbaldehyde
2-Pyrrolecarbaldehyde
2-Formylpyrrole
2-Pyrrolecarboxaldehyde
Pyrrole-2-carboxaldehyde
Pyrrole-2-carboxalde
Pyrrolo-2-carboxaldehyde
2-FORMYL-1H-PYRROLE
2-PCA
2-Pyrrolaldehyde
A-PYRROLALDEHYDE
pyrrol-2-carboxaldehyde
PYRROLE-2-ALDEHYDE
pyrrole-2-carbaldehyde
1H-Pyrrole-2-carboxaldehyde
NSC 66394
NSC 112885
TIMTEC-BB SBB004389
ALPHA-PYRROLALDEHYDE
2-Pyrrolylcarboxaldehyde
2-Pyrrolcarbaldehyde
2-carboxaldehyde-1H-pyrrole
1H-pyrrole-2-carboxyaldehyde
1-Pyrrole-2-carboxaldehyde
pyrrole carboxaldehyde
1H-Pyrrolecarboxald
2-FORMYLPYRROLE
1H-pyrrole-2-carbaldehyde

MDL Number

MFCD00005217

Customs Code

2933990090

FAQ

What is 1H-Pyrrole-2-carbaldehyde (CAS: 1003-29-8)?

1H-Pyrrole-2-carbaldehyde (CAS: 1003-29-8) is a heterocyclic organic compound with the chemical formula C5H6N2O. It features a pyrrole ring substituted with a formyl group at the 2nd carbon position. This compound is typically a colorless liquid with a pungent odor, known for its reactivity due to the carbonyl and pyrrole functionalities. It serves as an important intermediate in various chemical syntheses.

What are the main uses of 1H-Pyrrole-2-carbaldehyde (CAS: 1003-29-8)?

1H-Pyrrole-2-carbaldehyde (CAS: 1003-29-8) is widely used in pharmaceuticals as a building block for drug development, including antifungal and antibacterial agents. It also finds applications in industrial chemistry for producing dyes, pesticides, and polymers. In research, it is utilized in organic synthesis and material science. Its versatility makes it a key compound in chemical innovation and functional group manipulation.

Is 1H-Pyrrole-2-carbaldehyde (CAS: 1003-29-8) safe?

1H-Pyrrole-2-carbaldehyde (CAS: 1003-29-8) requires careful handling due to its potential to cause skin and eye irritation. It is classified as a hazardous substance under GHS, necessitating protective measures such as gloves, goggles, and a fume hood. Safety standards emphasize avoiding inhalation and ensuring proper ventilation. Always follow OSHA guidelines and consult safety data sheets (SDS) for safe usage.

How should 1H-Pyrrole-2-carbaldehyde (CAS: 1003-29-8) be stored?

1H-Pyrrole-2-carbaldehyde (CAS: 1003-29-8) should be stored in a cool, dry, and dark place, ideally at 2-8°C, to maintain stability. It is sensitive to moisture and air, so airtight containers with desiccants are recommended. Avoid exposure to light and ensure storage in a well-ventilated area. Keep away from incompatible materials to prevent degradation or hazardous reactions.