5-Nitro-1-isoindolinone

Basic Information

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CAS Number

876343-38-3

Molecular Formula

C8H6N2O3

Molecular Weight

178.14 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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O=C1NCc2c1ccc(c2)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O3/c11-8-7-2-1-6(10(12)13)3-5(7)4-9-8/h1-3H,4H2,(H,9,11)

InChIKey

CZXUANYPXDFFOG-UHFFFAOYSA-N

LogP

1.69020

Complexity

248

Synonyms & References

English

5-Nitroisoindolin-1-one
2,3-dihydro-5-nitro-1H-Isoindol-1-one
5-Nitro-2,3-dihydro-1H-isoindol-1-one
5-nitro-2,3-dihydroisoindol-1-one
5-Nitro-1-isoindolinone
CZXUANYPXDFFOG-UHFFFAOYSA-N
RW3305
FCH880300
3910AC
5-Nitro-2,3-dihydro-isoindol-1-one
PB28119
AM807263
OR305280
AX8211761
AB1004420
AB0071286
ST24044927
J-
5-nitroisoindolin-1-one
2,3-Dihydro-5-nitro-1H-isoindol-1-one (ACI)
5-Nitro-2,3-dihydroisoindol-1-one

MDL Number

MFCD10000827

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-Nitro-1-isoindolinone (CAS: 876343-38-3)?

5-Nitro-1-isoindolinone (CAS: 876343-38-3) is a crystalline compound with a molecular weight of approximately 225.08 g/mol. It has a high solubility in organic solvents like acetonitrile and acetone but is poorly soluble in water. The compound is known for its chemical stability and is moderately reactive. It can undergo nitro reduction and other substitution reactions under specific conditions.

How is 5-Nitro-1-isoindolinone (CAS: 876343-38-3) typically synthesized?

5-Nitro-1-isoindolinone (CAS: 876343-38-3) is typically synthesized via the nitration of 1-isoindolinone using a nitric acid/sulfuric acid mixture. The reaction requires careful control of temperature and concentration to achieve high yield and selectivity. The process can also be catalyzed with iron(III) chloride to improve the reaction rate and selectivity.

What industries use 5-Nitro-1-isoindolinone (CAS: 876343-38-3)?

5-Nitro-1-isoindolinone (CAS: 876343-38-3) finds applications in the pharmaceutical industry for the synthesis of various drugs. It is also used in the polymer industry as an intermediate for the production of certain polymers. Additionally, it is utilized in the development of sensors and as a component in the electronics industry for semiconductor applications.

What precautions should be taken when handling 5-Nitro-1-isoindolinone (CAS: 876343-38-3)?

When handling 5-Nitro-1-isoindolinone (CAS: 876343-38-3), it is crucial to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation. Spills should be immediately cleaned up with appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed handling and storage instructions.