1-Methyl-7-nitro-1H-indazole

Basic Information

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CAS Number

58706-36-8

Molecular Formula

C8H7N3O2

Molecular Weight

177.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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CN1N=CC2=C1C(=CC=C2)N(=O)=O

InChI

InChI=1S/C8H7N3O2/c1-10-8-6(5-9-10)3-2-4-7(8)11(12)13/h2-5H,1H3

InChIKey

HLSOBULFCLIDKE-UHFFFAOYSA-N

LogP

1.4814999999999998

Topological Polar Surface Area

60.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

216

Synonyms & References

English

1-Methyl-7-nitro-1H-indazole
1H-Indazole, 1-methyl-7-nitro-
1-methyl-7-nitroindazole
1-Methyl-7-nitro-1H-indazol
1-Methyl-7-nitroindazol
1-methyl-7-nitro-indazole
1-Methyl-7-nitroisoindazole
BDBM50240903
FCH873742
RP03045
OR110333
AX8167016
Y9552
06M368
1(c)\\methyl(c)\\7(c)\\nitro(c)\\1H(c)\\indazole
A831985

MDL Number

MFCD09832095

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-Methyl-7-nitro-1H-indazole (CAS: 58706-36-8)?

1-Methyl-7-nitro-1H-indazole is a solid with a crystalline form. It has a molecular weight of approximately 226.14 g/mol. This compound is slightly soluble in water but soluble in common organic solvents like ethanol and acetone. It is reactive towards reducing agents and shows some acidity, making it suitable for certain chemical transformations.

How is 1-Methyl-7-nitro-1H-indazole (CAS: 58706-36-8) typically synthesized?

1-Methyl-7-nitro-1H-indazole is typically synthesized via the nitration of 1-methyl-1H-indazole. This involves treating 1-methyl-1H-indazole with a nitric acid mixture under reflux conditions. The reaction can be catalyzed by sulfuric acid, and the yield is generally around 70-80%. The nitration step is exothermic and requires careful temperature control to prevent side reactions.

What industries use 1-Methyl-7-nitro-1H-indazole (CAS: 58706-36-8)?

1-Methyl-7-nitro-1H-indazole is used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in the polymer industry for the development of certain functional polymers and in the semiconductor industry for the fabrication of electronic devices. Additionally, it is utilized in the manufacturing of sensors and other industrial applications.

What precautions should be taken when handling 1-Methyl-7-nitro-1H-indazole (CAS: 58706-36-8)?

When handling 1-Methyl-7-nitro-1H-indazole, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.