5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde

Basic Information

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CAS Number

890652-02-5

Molecular Formula

C8H12N2O

Molecular Weight

152.2 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

Boiling Point

258.3±20.0℃ (760 Torr)

Density

1.05±0.1 g/cm3 (20 ºC 760 Torr)

Flash Point

110.0±21.8℃

SMILES

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CCCN1C(=C(C=N1)C=O)C

InChI

InChI=1S/C8H12N2O/c1-3-4-10-7(2)8(6-11)5-9-10/h5-6H,3-4H2,1-2H3

InChIKey

AUAXPAUSORRXAT-UHFFFAOYSA-N

LogP

1.41402

Topological Polar Surface Area

34.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

138

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde
5-methyl-1-propylpyrazole-4-carbaldehyde
5-methyl-1-propyl-1H-pyrazole-4-carbaldehyde
5-Methyl-1-propyl-1H-pyrazole-4-carboxaldehyde (ACI)
890652-02-5
DB-028136
DTXSID20360759
J-517741
AKOS000310514
Z826536304
ALBB-028890
EN300-155210
BBL040019
1H-pyrazole-4-carboxaldehyde, 5-methyl-1-propyl-
PS-4015
MFCD02855988
CS-0067978
ZB1458
SCHEMBL4919420
5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde, AldrichCPR
D97475
STK349734

MDL Number

MFCD02855988

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde (CAS: 890652-02-5)?

5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde (CAS: 890652-02-5) is a crystalline solid with a molecular weight of approximately 190.21 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is reactive, especially towards nucleophiles, and can undergo condensation reactions and condensation polymerization.

How is 5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde (CAS: 890652-02-5) typically synthesized?

5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde (CAS: 890652-02-5) can be synthesized through the condensation of 4-formylpyrazole with methyl propylamine using a strong acid catalyst like sulfuric acid. The reaction typically yields a high selectivity and good yield under mild conditions.

What industries use 5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde (CAS: 890652-02-5)?

5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde (CAS: 890652-02-5) is used in the pharmaceutical industry for the synthesis of various drug intermediates. It is also utilized in the semiconductor industry for doping and in the polymer industry for modifying the properties of polymer materials.

What precautions should be taken when handling 5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde (CAS: 890652-02-5)?

When handling 5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde (CAS: 890652-02-5), use appropriate personal protective equipment (PPE) such as safety goggles, gloves, and a lab coat. Handle in a well-ventilated fume hood to avoid inhalation. In case of spill, contain the spill with appropriate absorbents and follow the safety data sheet (SDS) guidelines for disposal.