5-Nitro-1(2H)-isoquinolinone

Basic Information

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CAS Number

82827-08-5

Molecular Formula

C9H6N2O3

Molecular Weight

190.16 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

Melting Point

252-254 ºC

Density

1.419

SMILES

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[O-][N+](=O)c1cccc2c(=O)[nH]ccc12

InChI

InChI=1S/C9H6N2O3/c12-9-7-2-1-3-8(11(13)14)6(7)4-5-10-9/h1-5H,(H,10,12)

InChIKey

GMDPUTAUKHHDCI-UHFFFAOYSA-N

LogP

1.95950

Synonyms & References

English

5-nitroisoquinolin-1(2H)-one
1(2H)-Isoquinolinone,5-nitro-
5-Nitro-2H-isoquinolin-1-one
5-nitro-1(2H)-isoquinolinone
5-Nitroisocarbostyril
5-nitroisocarbostyryl
5-nitroisoquinoline-1(2H)-one
5-nitroisoquinolinone
5-Nitroisoquinolin-1-ol

MDL Number

MFCD00232024

Customs Code

2933790090

FAQ

What is 5-Nitro-1(2H)-isoquinolinone (CAS: 82827-08-5)?

5-Nitro-1(2H)-isoquinolinone, also known as 5-nitroisoquinoline-1-one, is a substituted isoquinoline derivative with a nitro group attached to the 5-position of the isoquinoline ring. This compound has a chemical formula of C9H6N2O3. It is a solid with a melting point of approximately 240-242°C.

What are the main uses of 5-Nitro-1(2H)-isoquinolinone (CAS: 82827-08-5)?

5-Nitro-1(2H)-isoquinolinone is primarily used in the pharmaceutical industry as an intermediate for synthesizing various bioactive compounds. It is also used in chemical research for studying the properties of isoquinoline derivatives and in other applications requiring specific chemical functionalities.

Is 5-Nitro-1(2H)-isoquinolinone (CAS: 82827-08-5) safe?

5-Nitro-1(2H)-isoquinolinone is generally safe under normal handling conditions when appropriate measures are taken. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment, such as gloves and goggles, to prevent skin contact and eye irritation. Storage and use should be conducted in a well-ventilated area to avoid inhaling the fumes.

How should 5-Nitro-1(2H)-isoquinolinone (CAS: 82827-08-5) be stored?

5-Nitro-1(2H)-isoquinolinone should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. The storage temperature should not exceed 25°C, and the container should be protected from light to prevent photodegradation. It is recommended to store this compound in a chemical cabinet with appropriate ventilation.