6-Chloro-1H-indazole-3-carbaldehyde

Basic Information

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CAS Number

885521-37-9

Molecular Formula

C8H5ClN2O

Molecular Weight

180.59 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

Basic Physical Properties

Boiling Point

391.7±22.0°C at 760 mmHg

Density

1.521±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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C1=CC2=C(NN=C2C=C1Cl)C=O

InChI

InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-11-8(6)4-12/h1-4H,(H,10,11)

InChIKey

YQELBDVPJNKBAP-UHFFFAOYSA-N

LogP

2.0287999999999995

Topological Polar Surface Area

45.75 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

188

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

6-Chloro-1H-indazole-3-carbaldehyde
6-chloro-2H-indazole-3-carbaldehyde
6-Chloro-3-(1H)indazole carboxaldehyde
1H-Indazole-3-carboxaldehyde, 6-chloro-
6-Chloro-1H-indazole-3-carboxaldehyde
YQELBDVPJNKBAP-UHFFFAOYSA-N
FCH857325
4368AC
AB42691
6-Chloro-3-(1H)indazolecarboxaldehyde
OR305084
AX8237853
AB0098218
6-chloro-1H-indazole-3-carbaldehyde
6-Chloro-1H-indazole-3-carboxaldehyde (ACI)
885521-37-9
CS-0043051
DS-16081
SY111645
DB-077971
AKOS006284927
MFCD07781580
EN300-1616826
SCHEMBL5211222
DTXSID20622748
1H-INDAZOLE-3-CARBOXALDEHYDE, 6-CHLORO-

MDL Number

MFCD07781580

FAQ

What are the physical and chemical properties of 6-Chloro-1H-indazole-3-carbaldehyde (CAS: 885521-37-9)?

6-Chloro-1H-indazole-3-carbaldehyde is a crystalline solid with a molecular weight of approximately 206.04 g/mol. It is slightly soluble in water and ethanol. This compound exhibits good reactivity towards nucleophiles and electrophiles, making it suitable for various chemical transformations. It is stable under normal conditions but should be stored in a dry place to prevent moisture degradation.

How is 6-Chloro-1H-indazole-3-carbaldehyde (CAS: 885521-37-9) typically synthesized?

6-Chloro-1H-indazole-3-carbaldehyde is usually synthesized via the condensation of indole-3-carbaldehyde with chloroacetaldehyde, followed by the removal of the indole group. Commonly used catalysts include acid catalysts like hydrochloric acid or trifluoroacetic acid, which help improve the yield and selectivity of the reaction. The overall yield can be up to 70-80%.

What industries use 6-Chloro-1H-indazole-3-carbaldehyde (CAS: 885521-37-9)?

6-Chloro-1H-indazole-3-carbaldehyde finds applications in the pharmaceutical industry for the synthesis of drugs, particularly those targeting specific receptors. It is also used in the polymer industry to develop novel materials with unique properties. Additionally, it is used in the electronics sector for the production of semiconductors and as a precursor in sensor technologies.

What precautions should be taken when handling 6-Chloro-1H-indazole-3-carbaldehyde (CAS: 885521-37-9)?

When handling 6-Chloro-1H-indazole-3-carbaldehyde, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, immediately clean up using appropriate absorbent materials and follow the safety data sheet (SDS) guidelines. Always consult the SDS for detailed information on handling and storage.