Methyl 3-nitroisonicotinate

Basic Information

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CAS Number

103698-10-8

Molecular Formula

C7H6N2O4

Molecular Weight

182.13 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

Boiling Point

278.6±20.0 ºC (760 Torr),

Flash Point

122.3±21.8 ºC,

SMILES

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COC(=O)c1ccncc1[N+](=O)[O-]

InChI

InChI=1S/C7H6N2O4/c1-13-7(10)5-2-3-8-4-6(5)9(11)12/h2-4H,1H3

InChIKey

VFZBLITUPLITGH-UHFFFAOYSA-N

LogP

1.29960

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

Methyl 3-nitroisonicotinate
Methyl 3-nitroisonicotinoate
methyl 3-nitropyridine-4-carboxylate
3-nitroisonicotinic acid Methyl ester
4-Pyridinecarboxylic acid, 3-nitro-, Methyl ester
[7-(4-Amino-2-fluoro-phenoxy)-thieno[3,2-b]phridin-2-yl-pyrrolidin-1-yl]-methanone

MDL Number

MFCD16657194

Customs Code

2933399090

FAQ

What regulatory guidelines apply to Methyl 3-nitroisonicotinate (CAS: 103698-10-8)?

Methyl 3-nitroisonicotinate (CAS: 103698-10-8) is classified under the Globally Harmonized System (GHS) as a skin and eye irritant. It falls under the European Union's REACH regulation, which requires manufacturers and importers to register substances above 1 tonne per year. Additionally, the FDA regulates its use in food additives, and the EPA oversees its use in pesticides. Compliance with these regulations is essential for safe handling and use.

Are there alternatives to Methyl 3-nitroisonicotinate (CAS: 103698-10-8) in synthesis?

Several alternatives can be used in the synthesis of Methyl 3-nitroisonicotinate (CAS: 103698-10-8), such as methyl 3-aminonicotinate and methyl 2-nitroisonicotinate. Researchers often opt for these compounds due to their similar properties and availability. Isomers and analogs can also serve as effective substitutes in various synthetic routes.

What is the market or research trend for Methyl 3-nitroisonicotinate (CAS: 103698-10-8)?

The market for Methyl 3-nitroisonicotinate (CAS: 103698-10-8) is driven by its applications in pharmaceuticals and agrochemicals. Recent research trends focus on its use as a precursor for nitro-containing compounds and as an intermediate in drug synthesis. Market trends indicate a steady demand, with potential for growth in emerging applications such as catalysis and material science.

How should waste containing Methyl 3-nitroisonicotinate (CAS: 103698-10-8) be handled?

Waste containing Methyl 3-nitroisonicotinate (CAS: 103698-10-8) should be collected in appropriate containers and stored separately from other chemicals. Proper disposal methods include incineration or professional waste disposal services. Environmental precautions include ensuring no spillage and using Personal Protective Equipment (PPE) to prevent exposure. Compliance with local and international regulations is crucial for safe waste management.