5-Methoxy-1H-indole-2,3-dione

Basic Information

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CAS Number

39755-95-8

Molecular Formula

C9H7NO3

Molecular Weight

177.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

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

200.0 to 205.0 deg-C

Density

1.346

Water Solubility

Soluble in cold water.

Refractive Index

1.585

SMILES

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COC1=CC2=C(C=C1)NC(=O)C2=O

InChI

InChI=1S/C9H7NO3/c1-13-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12)

InChIKey

DMHGXMPXHPOXBF-UHFFFAOYSA-N

LogP

0.8299999999999998

Topological Polar Surface Area

55.4 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

251

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

F0896-0193
BRN 0139520
NSC88052
1H-Indole-2,3-dione, 5-methoxy-
5-Methoxy-indole-2,3-dione
5-Methoxy-2,3-indolinedione
J-517701
FT-0639576
CHEBI:149863
DTXSID00192838
M1362
AC-28109
5-Methoxyindole-2,3-dione
5-methoxyindoline-2,3-dione
5-Methoxy-1H-indole-2,3-dione
CHEMBL222660
SR-01000390541
Isatin-based compound, 31
MB00814
Z56899037
SR-01000390541-1
HMS2557P21
A20428
UNII-C7GA9U9TN1
SY021560
MFCD00169023
SCHEMBL21602
NSC 88052
5-Methoxy isatin
5-Methoxy-1H-indole-2,3-dione #
EN300-17177

MDL Number

MFCD00169023

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 5-Methoxy-1H-indole-2,3-dione (CAS: 39755-95-8)?

5-Methoxy-1H-indole-2,3-dione (CAS: 39755-95-8) is classified under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which involves hazard communication including signal words, pictograms, and hazard statements. In the EU, it falls under the REACH regulation for chemical safety. FDA and EPA guidelines apply in the US for its use in pharmaceuticals and environmental concerns, respectively. Compliance with local regulations is essential for handling, storage, and disposal of this compound.

Are there alternatives to 5-Methoxy-1H-indole-2,3-dione (CAS: 39755-95-8) in synthesis?

5-Methoxy-1H-indole-2,3-dione can be synthesized using various starting materials. Alternative reagents such as 1H-indole-2,3-dione and 5-methoxyindole are used in similar syntheses. Isomers and analogs like 5-ethoxy-1H-indole-2,3-dione may also be considered. The choice of alternative depends on the specific requirements of the synthesis and the desired properties of the product.

What is the market or research trend for 5-Methoxy-1H-indole-2,3-dione (CAS: 39755-95-8)?

The market for 5-Methoxy-1H-indole-2,3-dione (CAS: 39755-95-8) is growing due to its applications in pharmaceuticals and agrochemicals. Research trends indicate increased interest in its use as a precursor for indole derivatives with potential therapeutic properties. The trend also focuses on developing more sustainable and efficient synthetic routes for this compound.

How should waste containing 5-Methoxy-1H-indole-2,3-dione (CAS: 39755-95-8) be handled?

Waste containing 5-Methoxy-1H-indole-2,3-dione (CAS: 39755-95-8) should be collected in appropriate containers lined with impermeable material. Incineration is a common disposal method, but professional waste disposal services are recommended for safety. Environmental protection precautions include preventing spills and ensuring proper labeling and storage to avoid contamination. Strict adherence to local regulations and guidelines is crucial for safe waste management.