Methyl 5-nitro-1H-indole-3-carboxylate

Basic Information

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CAS Number

686747-51-3

Molecular Formula

C10H8N2O4

Molecular Weight

220.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

SMILES

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COC(=O)C1=CNC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O4/c1-16-10(13)8-5-11-9-3-2-6(12(14)15)4-7(8)9/h2-5,11H,1H3

InChIKey

MMDKJGMVXBELQV-UHFFFAOYSA-N

Complexity

302

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

A851515
5-nitro-1h-indole-3-carboxylic acid methyl ester
FT-0759682
686747-51-3
Methyl5-nitro-1H-indole-3-carboxylate
methyl 5-nitro-1H-indole-3-carboxylate;Methyl 5-Nitroindole-3-carboxylate
SCHEMBL615804
DTXSID10731550
CS-W022871
Methyl 5-nitro-1H-indole-3-carboxylate
SY058868
FS-5272
Methyl 5-Nitroindole-3-carboxylate
AKOS016008172
MFCD06204072
5-Nitro-1H-indole-3-carboxylic acid methyl ester
1H-Indole-3-carboxylic acid, 5-nitro-, methyl ester
AGN-PC-0CUUQW
AK104805
ANW-70977
CTK8C4036
KB-78745
methyl 5-nitroindole-3-carboxylate
SureCN615804
0609AC
ST2413458

MDL Number

MFCD06204072

FAQ

What regulatory guidelines apply to Methyl 5-nitro-1H-indole-3-carboxylate (CAS: 686747-51-3)?

Methyl 5-nitro-1H-indole-3-carboxylate (CAS: 686747-51-3) is subject to various regulatory guidelines such as the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for hazard communication, REACH regulations for European manufacturers and importers, and FDA/EPA requirements for safety and environmental compliance. Specific handling and storage conditions must be adhered to based on its chemical properties and potential hazards.

Are there alternatives to Methyl 5-nitro-1H-indole-3-carboxylate in synthesis?

Several alternatives can be used in the synthesis of Methyl 5-nitro-1H-indole-3-carboxylate. Common substitutes include related indoles, such as methyl indole or methyl 1H-indole-3-carboxylate, which can serve as precursor molecules. Other reagents like nitric acid or similar nitrogen-containing compounds can also be considered as alternatives depending on the specific reaction conditions and desired product purity.

What is the market or research trend for Methyl 5-nitro-1H-indole-3-carboxylate (CAS: 686747-51-3)?

The market for Methyl 5-nitro-1H-indole-3-carboxylate (CAS: 686747-51-3) is driven by its use in pharmaceutical and fine chemical industries. Research trends indicate a growing interest in exploring its potential in medicinal chemistry, particularly in the development of new drugs. Price trends suggest a stable market with minor fluctuations, influenced by supply chain factors and demand from various applications.

How should waste containing Methyl 5-nitro-1H-indole-3-carboxylate (CAS: 686747-51-3) be handled?

Waste containing Methyl 5-nitro-1H-indole-3-carboxylate (CAS: 686747-51-3) should be collected in appropriate containers labeled with warning signs and stored in a safe, well-ventilated area away from incompatible materials. Incineration or professional waste disposal services are recommended for proper disposal. Environmental protection precautions include ensuring no release into the environment and complying with local and national regulations for hazardous waste management.