1H-Indazole-5-carbaldehyde

Basic Information

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CAS Number

253801-04-6

Molecular Formula

C8H6N2O

Molecular Weight

146.15 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

Melting Point

115-119 °C

Boiling Point

358.3°C at 760 mmHg

Density

1.368g/cm3

Flash Point

174.4ºC

Refractive Index

1.747

SMILES

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C1=CC2=C(C=C1C=O)C=NN2

InChI

InChI=1S/C8H6N2O/c11-5-6-1-2-8-7(3-6)4-9-10-8/h1-5H,(H,9,10)

InChIKey

YJKMYHNMBGQQQZ-UHFFFAOYSA-N

LogP

1.3754

Topological Polar Surface Area

45.75 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

160

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

YJKMYHNMBGQQQZ-UHFFFAOYSA-N
SY020611
AM20040032
253801-04-6
W-206951
Indazole-5-carboxaldehyde
MFCD06738280
SCHEMBL182465
PB12392
AC-29610
5-Formylindazole
Indazole-5-carboxaldehyde, 96%
5-Formyl-1H-indazole
Z1198169739
EN300-84276
FT-0685846
1H-INDAZOLE-5-CARBALDEHYDE
GS-3926
A5124
BCP26272
DTXSID70611622
1H-indazol-5-carbaldehyde
CS-W019749
1H-Indazole-5-carboxaldehyde
AKOS005255766
2H-Indazole-5-carbaldehyde
1H-Indazole-5-carbaldehyde
1H-INDAZOLE-5-CARBOXALDEHYDE
2H-Indazole-5-carboxaldehyde
PubChem18181
5-FORMYL INDAZOLE

MDL Number

MFCD06738280

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1H-Indazole-5-carbaldehyde (CAS: 253801-04-6)?

1H-Indazole-5-carbaldehyde is a crystalline solid with a molecular weight of approximately 152.14 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. This compound is moderately reactive and can undergo condensation reactions and nucleophilic aromatic substitution. It is typically stored in a dry, shaded area to prevent degradation.

How is 1H-Indazole-5-carbaldehyde (CAS: 253801-04-6) typically synthesized?

1H-Indazole-5-carbaldehyde is commonly synthesized via the condensation of indazole with a carbonyl compound like acetaldehyde in the presence of a catalyst such as p-toluenesulfonic acid. The reaction is typically carried out under reflux conditions, and the yield can be improved by using anhydrous conditions to minimize side reactions.

What industries use 1H-Indazole-5-carbaldehyde (CAS: 253801-04-6)?

1H-Indazole-5-carbaldehyde finds applications in the pharmaceutical industry as an intermediate in the synthesis of drugs, particularly those targeting the treatment of neurological disorders. It is also used in the synthesis of dyes and pigments, and as a reagent in organic synthesis for the preparation of various heterocyclic compounds.

What precautions should be taken when handling 1H-Indazole-5-carbaldehyde (CAS: 253801-04-6)?

When handling 1H-Indazole-5-carbaldehyde, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation. Spills should be carefully cleaned up using appropriate absorbents, and the area should be thoroughly decontaminated. Always consult the Safety Data Sheet (SDS) for detailed safety information.