4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde

Basic Information

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CAS Number

95337-70-5

Molecular Formula

C13H13NO

Molecular Weight

199.25 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

Basic Physical Properties

Melting Point

82-85°C

SMILES

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CC1=CC=C(N1C2=CC=C(C=C2)C=O)C

InChI

InChI=1S/C13H13NO/c1-10-3-4-11(2)14(10)13-7-5-12(9-15)6-8-13/h3-9H,1-2H3

InChIKey

BYUCOWZETDGUAS-UHFFFAOYSA-N

LogP

2.9066400000000012

Topological Polar Surface Area

22.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

211

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzaldehyde
4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzenecarbaldehyde
4-(2,5-dimethylpyrrol-1-yl)benzaldehyde
dimethylpyrrolylbenzenecarbaldehyde
4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzaldehyde (ACI)
4-(2,5-Dimethylpyrrol-1-yl)benzaldehyde
CS-0207309
4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBALDEHYDE
4-(2,5-Dimethyl-pyrrol-1-yl)-benzaldehyde
4-(2,5-dimethyl-1H-pyrrol-1-yl)benzaldehyde, AldrichCPR
AKOS005071360
MFCD00177098
SCHEMBL3853265
DTXSID70377493
J-513266
95337-70-5
DB-057579
4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde
9W-0243
4-(2,5-di-methyl-1H-pyrrol-1-yl)-benzaldehyde
SB62184

MDL Number

MFCD00177098

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde (CAS: 95337-70-5)?

4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde (CAS: 95337-70-5) is a crystalline compound with a molecular weight of approximately 214.24 g/mol. It has a melting point of 133-134°C and is slightly soluble in water but soluble in organic solvents like ethanol and acetone. It exhibits moderate reactivity, particularly towards nucleophilic substitution reactions and can be used as a starting material in organic synthesis.

How is 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde (CAS: 95337-70-5) typically synthesized?

4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde (CAS: 95337-70-5) can be synthesized via a multi-step process starting from benzaldehyde and 2,5-dimethylpyrrole. The initial step involves the condensation of benzaldehyde with 2,5-dimethylpyrrole in the presence of a phase transfer catalyst. The product is then purified by recrystallization from an appropriate solvent, yielding a product with high purity and selectivity.

What industries use 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde (CAS: 95337-70-5)?

4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde (CAS: 95337-70-5) finds applications in various industries. It is used in the pharmaceutical sector as an intermediate for drug synthesis. In the polymer industry, it serves as a monomer for the preparation of functional polymers. Additionally, it is employed in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde (CAS: 95337-70-5)?

When handling 4-(2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzaldehyde (CAS: 95337-70-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Use a fume hood during operations to minimize exposure. Ensure proper ventilation and avoid inhalation. In case of a spill, neutralize the area with an appropriate solution and clean up carefully. Refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.