6-Chloro-1H-indazole-3-carbonitrile

Basic Information

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CAS Number

885278-30-8

Molecular Formula

C8H4ClN3

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Density

1.50

SMILES

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C1=CC2=C(C=C1Cl)NN=C2C#N

InChI

InChI=1S/C8H4ClN3/c9-5-1-2-6-7(3-5)11-12-8(6)4-10/h1-3H,(H,11,12)

InChIKey

UURANFWTYQPVQY-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

222

Synonyms & References

English

6-Chloro-1H-indazole-3-carbonitrile
1H-Indazole-3-carbonitrile,6-chloro-
1H-Indazole-3-carbonitrile,6-chloro
6-chloro-1H-indazole-3-carbonitrile
6-Chloro-1H-indazole-3-carbonitrile (ACI)
DTXSID80696268
885278-30-8
CS-0036646
C90347
AKOS006285073
UURANFWTYQPVQY-UHFFFAOYSA-N
SCHEMBL9980415
6-CHLORO-1H-INDAZOLE-3-CARBONITRILE
BS-25791
AB32617
DB-077748
A1-05160

MDL Number

MFCD07371569

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 6-Chloro-1H-indazole-3-carbonitrile (CAS: 885278-30-8)?

6-Chloro-1H-indazole-3-carbonitrile (CAS: 885278-30-8) is a crystalline solid with a molecular weight of approximately 210.01 g/mol. It is slightly soluble in water and more soluble in organic solvents such as ethanol and acetone. Chemically, it is less reactive but can undergo electrophilic aromatic substitution reactions. It is often used in medicinal chemistry and as a precursor in organic synthesis.

How is 6-Chloro-1H-indazole-3-carbonitrile (CAS: 885278-30-8) typically synthesized?

6-Chloro-1H-indazole-3-carbonitrile is typically synthesized via electrophilic substitution reactions. One common method involves the reaction of indazole with chloroacyl chlorides in the presence of a base. The key steps include the formation of the indazole ring followed by the introduction of the chloro and cyano groups. This process requires careful control of reaction conditions to achieve high yield and selectivity.

What industries use 6-Chloro-1H-indazole-3-carbonitrile (CAS: 885278-30-8)?

6-Chloro-1H-indazole-3-carbonitrile (CAS: 885278-30-8) is primarily used in pharmaceuticals, where it serves as a precursor for drug development. It is also utilized in the manufacturing of organic semiconductors and as a reagent in various organic synthesis processes. Its applications in the polymer industry and sensors are less common but still relevant.

What precautions should be taken when handling 6-Chloro-1H-indazole-3-carbonitrile (CAS: 885278-30-8)?

When handling 6-Chloro-1H-indazole-3-carbonitrile (CAS: 885278-30-8), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the use of a fume hood during preparation to prevent inhalation. Spills should be cleaned up carefully using appropriate absorbents, and the material should be disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.