2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione

Basic Information

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CAS Number

41663-84-7

Molecular Formula

C9H6N2O4

Molecular Weight

206.15 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

177.0 to 180.0 deg-C

Boiling Point

361.1°C at 760 mmHg

SMILES

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CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H6N2O4/c1-10-8(12)6-3-2-5(11(14)15)4-7(6)9(10)13/h2-4H,1H3

InChIKey

JBCHWGTZAAZJKG-UHFFFAOYSA-N

LogP

1.28170

Complexity

336

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

2-methyl-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione
D70559
FT-0619242
(1-Benzylpiperidine-2,5-diyl)dimethanol
A23046
METHYLNITROPHTHALIMIDE
Oprea1_571303
N-Methyl-4-nitro-phthalimide
Phthalimide, N-methyl-4-nitro-
InChI=1/C9H6N2O4/c1-10-8(12)6-3-2-5(11(14)15)4-7(6)9(10)13/h2-4H,1H3
EINECS 255-483-2
CAS-41663-84-7
UNII-6A6EF017ZM
DTXCID308013
JBCHWGTZAAZJKG-UHFFFAOYSA-
2-methyl-5-nitro-1H-isoindole-1,3(2H)-dione
Tox21_200196
AI3-28673
6A6EF017ZM
2-methyl-5-nitroisoindole-1,3-dione
DTXSID7028013
CCG-233390
41663-84-7
MFCD00454263
SB64030
Q27264407
2-methyl-5-nitroisoindoline-1,3-dione
SCHEMBL516995
CS-W015337
NCGC00248558-01
F1414-0777

MDL Number

MFCD00454263

FAQ

What is 2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione (CAS: 41663-84-7)?

2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione (CAS: 41663-84-7) is a heterocyclic compound with the molecular formula C8H6N2O4. It features a fused benzene ring and a pyrrole ring, with substituents including a methyl group and nitro groups. This compound is typically a solid with strong polarity, making it soluble in polar solvents. Its chemical structure and functional groups suggest potential applications in organic synthesis and pharmaceutical research.

What are the main uses of 2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione (CAS: 41663-84-7)?

2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione (CAS: 41663-84-7) is primarily used as a synthetic intermediate in pharmaceutical and chemical research. Its unique structure enables it to participate in reactions for drug development, particularly in the synthesis of heterocyclic compounds. It may also find applications in materials science and as a component in specialized dyes or pigments due to its functional groups and chemical reactivity.

Is 2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione (CAS: 41663-84-7) safe?

2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione (CAS: 41663-84-7) requires careful handling due to its potential reactivity and toxicity. While specific toxicity data may vary, it is advisable to use protective equipment such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize exposure. Safety standards emphasize avoiding contact with skin and eyes, and proper disposal methods should be followed to ensure environmental and occupational safety.

How should 2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione (CAS: 41663-84-7) be stored?

2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione (CAS: 41663-84-7) should be stored in a sealed, airtight container in a cool, dry place, preferably below 25°C. It is sensitive to light and humidity, so storage in a dark environment and controlled conditions are essential. Avoid exposure to air and moisture to maintain stability, and ensure the container is labeled clearly for safe handling and storage.