4-Bromo-1H-pyrrole-2-carbaldehyde

Basic Information

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CAS Number

931-33-9

Molecular Formula

C5H4BrNO

Molecular Weight

174 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

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

SMILES

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C1=C(NC=C1Br)C=O

InChI

InChI=1S/C5H4BrNO/c6-4-1-5(3-8)7-2-4/h1-3,7H

InChIKey

RFQYNGQAZZSGFM-UHFFFAOYSA-N

LogP

1.5896999999999997

Topological Polar Surface Area

32.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

96.4

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

4-Bromo-1H-pyrrole-2-carbaldehyde
4-Bromo-2-pyrrolecarboxaldehyde
1H-Pyrrole-2-carboxaldehyde, 4-bromo-
4-bromo-1H-Pyrrole-2-carboxaldehyde
4-BROMOPYROLE-2-CARBOXALDEHYDE
4-BROMOPYRROLE-2-CARBOXALDEHYDE
1H-Pyrrole-2-carboxaldehyde,4-bromo
4-bromo-2-formylpyrrole
4-bromo-pyrrole-2-carbaldehyde
RFQYNGQAZZSGFM-UHFFFAOYSA-N
4-bromopyrrole-2-carbaldehyde
BCP05404
SBB088835
4-Bromo-1H-pyrrole-2-carbaldehyde #
4-Bromo-1H-pyrrole-2-carboxaldehyde (ACI)
Pyrrole-2-carboxaldehyde, 4-bromo- (7CI, 8CI)
4-bromo-1H-pyrrole-2-carbaldehyde
EN300-182953
SB63883
DB-079486
4-Bromo-1H-pyrrole-2-carboxaldehyde
4-Bromopyrrole-2-carboxaldehyde
AKOS006230227
CS-W020675
SY031830
SCHEMBL2362181
AQ-405/40279458
DTXSID30344803
931-33-9
PS-3316
4-Bromo-1H-pyrrole-2-carbaldehyde, AldrichCPR

MDL Number

MFCD02179586

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-Bromo-1H-pyrrole-2-carbaldehyde (CAS: 931-33-9)?

4-Bromo-1H-pyrrole-2-carbaldehyde (CAS: 931-33-9) is a crystalline solid with a molecular weight of approximately 189.03 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. The compound is moderately reactive and can undergo electrophilic aromatic substitution reactions due to the presence of the bromo and carbonyl groups.

How is 4-Bromo-1H-pyrrole-2-carbaldehyde (CAS: 931-33-9) typically synthesized?

4-Bromo-1H-pyrrole-2-carbaldehyde (CAS: 931-33-9) is commonly synthesized by bromination of 1H-pyrrole-2-carbaldehyde using N-bromosuccinimide (NBS) in the presence of a suitable solvent like acetonitrile. The reaction is typically carried out under light and in the presence of a radical initiator to enhance the bromination efficiency.

What industries use 4-Bromo-1H-pyrrole-2-carbaldehyde (CAS: 931-33-9)?

4-Bromo-1H-pyrrole-2-carbaldehyde (CAS: 931-33-9) finds applications in several industries. It is used as a precursor in the synthesis of pharmaceuticals, dyes, and as an intermediate in the development of new materials. Its unique structure makes it valuable in the production of polymers and sensors due to its aromatic nature and functional groups.

What precautions should be taken when handling 4-Bromo-1H-pyrrole-2-carbaldehyde (CAS: 931-33-9)?

When handling 4-Bromo-1H-pyrrole-2-carbaldehyde (CAS: 931-33-9), it is essential to use proper personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize exposure to the vapor. Ensure proper storage in a cool, dry place away from direct sunlight. In case of a spill, follow standard chemical spill procedures and consult the safety data sheet (SDS) for detailed instructions.