1-(4-fluorophenyl)-1H-pyrrole-2-carbaldehyde

Basic Information

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CAS Number

169036-71-9

Molecular Formula

C11H8FNO

Molecular Weight

189.19 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

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

SMILES

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C1=CN(C(=C1)C=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C11H8FNO/c12-9-3-5-10(6-4-9)13-7-1-2-11(13)8-14/h1-8H

InChIKey

JDANDWLVCIKGCA-UHFFFAOYSA-N

LogP

2.4289000000000005

Topological Polar Surface Area

22.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

202

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-(4-Fluorophenyl)-1H-pyrrole-2-carbaldehyde
1-(4-Fluoro-phenyl)-1H-pyrrole-2-carbaldehyde
1-(4-fluorophenyl)pyrrole-2-carbaldehyde
1-(4-fluorophenyl)-2-formylpyrrole
1h-pyrrole-2-carboxaldehyde,1-(4-fluorophenyl)
1-(4-FLUOROPHENYL)-1H-PYRROLE-2-CARBOXALDEHYDE
1H-PYRROLE-2-CARBOXALDEHYDE, 1-(4-FLUOROPHENYL)-
1-(4-fluorophenyl)-1H-pyrrole-2-carbaldehyde
SB62225
1-(4-fluorophenyl)-1h-pyrrole-2-carboxaldehyde
JDANDWLVCIKGCA-UHFFFAOYSA-N
BBL022082
CS-0135120
STK894797
AMY14099
VS-07153
169036-71-9
E76040
DTXSID30390305
SCHEMBL6052462
1h-pyrrole-2-carboxaldehyde, 1-(4-fluorophenyl)-
NCGC00325441-01
AB01320446-02
EN300-6503210
AKOS000113760
MFCD02664892

MDL Number

MFCD02664892

FAQ

What are the physical and chemical properties of 1-(4-fluorophenyl)-1H-pyrrole-2-carbaldehyde (CAS: 169036-71-9)?

1-(4-fluorophenyl)-1H-pyrrole-2-carbaldehyde (CAS: 169036-71-9) is a crystalline solid with a molecular weight of approximately 243.2 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and dichloromethane. This compound is reactive due to the presence of the carbonyl group and the fluorine substituent, which can participate in various chemical reactions. It is often used in organic synthesis and medicinal chemistry.

How is 1-(4-fluorophenyl)-1H-pyrrole-2-carbaldehyde (CAS: 169036-71-9) typically synthesized?

1-(4-fluorophenyl)-1H-pyrrole-2-carbaldehyde can be synthesized via the Knoevenagel condensation of 4-fluorophenylhydrazine with pyrrole, followed by oxidation. Commonly, this condensation is catalyzed by acid, and the final oxidation step is typically performed using chromic acid or periodate. The yield and selectivity can be improved by optimizing reaction conditions, such as temperature and catalyst concentration.

What industries use 1-(4-fluorophenyl)-1H-pyrrole-2-carbaldehyde (CAS: 169036-71-9)?

1-(4-fluorophenyl)-1H-pyrrole-2-carbaldehyde (CAS: 169036-71-9) is primarily used in the pharmaceutical and chemical industries. It serves as a valuable intermediate in the synthesis of various drugs and materials. Its unique structure makes it particularly useful in the development of new materials and in the production of certain organic compounds.

What precautions should be taken when handling 1-(4-fluorophenyl)-1H-pyrrole-2-carbaldehyde (CAS: 169036-71-9)?

Handling 1-(4-fluorophenyl)-1H-pyrrole-2-carbaldehyde (CAS: 169036-71-9) requires appropriate personal protective equipment (PPE), including gloves, lab coat, and safety goggles. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to volatile compounds. In case of spills, immediately clean up with appropriate materials and follow local safety guidelines. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.