1H-Indazole-7-carbonitrile

Basic Information

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CAS Number

256228-64-5

Molecular Formula

C8H5N3

Molecular Weight

132.17 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

Basic Physical Properties

Boiling Point

370.3±15.0 ºC (760 Torr),

Flash Point

126.7±5.6 ºC,

SMILES

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C1=CC2=C(C(=C1)C#N)NN=C2

InChI

InChI=1S/C8H5N3/c9-4-6-2-1-3-7-5-10-11-8(6)7/h1-3,5H,(H,10,11)

InChIKey

QXSXSDGUHOPEDJ-UHFFFAOYSA-N

LogP

1.8713199999999999

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

193

Synonyms & References

English

BDBM50271277
AM20040039
BCP27347
1H-Indazole-7-carbonitrile
256228-64-5
QXSXSDGUHOPEDJ-UHFFFAOYSA-N
PS-5254
A15425
7-Cyanoindazole
MFCD10696804
W-206963
EN300-141864
SCHEMBL15808413
AKOS006302710
7-cyano-1H-indazole
CHEMBL484298
PB25296
AC-30507
CS-0044714
DTXSID70648498
FT-0646070
7-Cyano-1H-indazole
INDAZOLE-7-CARBONITRILE
RP01350
VI20078
ST1100713
AB0038018
Y5362
1H-indazole-7-carbonitrile

MDL Number

MFCD10696804

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 1H-Indazole-7-carbonitrile (CAS: 256228-64-5)?

1H-Indazole-7-carbonitrile (CAS: 256228-64-5) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes handling and storage instructions. It may also be regulated under REACH in the EU, and FDA/EPA for use in pharmaceutical and environmental safety contexts. Companies must ensure compliance with local and international regulations to ensure safe transportation, storage, and disposal.

Are there alternatives to 1H-Indazole-7-carbonitrile (CAS: 256228-64-5) in synthesis?

In the synthesis of similar compounds, alternatives to 1H-Indazole-7-carbonitrile (CAS: 256228-64-5) include various nitrogen heterocycles like indoles and benzimidazoles. Isomers such as 1H-Benzimidazol-2(3H)-carbonitrile can be used as a substitute. Common alternative reagents include nitriles derived from different aromatic rings or other functional groups. These alternatives offer similar reactivity and can be chosen based on specific synthetic requirements.

What is the market or research trend for 1H-Indazole-7-carbonitrile (CAS: 256228-64-5)?

The market for 1H-Indazole-7-carbonitrile (CAS: 256228-64-5) is driven by its use in pharmaceuticals, particularly as a precursor for drug development. Research trends focus on its application in antiviral, anticancer, and anti-inflammatory agents. The demand is growing due to its versatile pharmacological properties. Additionally, there is increasing interest in its synthetic applications in materials chemistry and agrochemicals.

How should waste containing 1H-Indazole-7-carbonitrile (CAS: 256228-64-5) be handled?

Waste containing 1H-Indazole-7-carbonitrile (CAS: 256228-64-5) should be collected in compatible, labeled containers and stored away from incompatible materials. Proper waste disposal should involve professional treatment or incineration in compliance with local regulations. Environmental protection measures include monitoring for any leakage or spillage to prevent contamination. Companies must ensure compliance with hazardous waste management guidelines to protect both human health and the environment.