Ethyl 5-nitropicolinate - ≥97% , CAS No.30563-98-5

CAS: 30563-98-5 Cat. No.: E192639 Fórmula: C₈H₈N₂O₄ Peso molecular: 196.16

GRADE & PURITY ≥97%

Synonyms

DS-3235 | SB12681 | DTXSID30668430 | AKOS006326251 | Ethyl 5-nitropyridine-2-carboxylate | Ethyl 5-nitropicolinate | PZFHVUFNOKRFEC-UHFFFAOYSA-N | A876150 | 5-Nitro-2-pyridinecarboxylic Acid Ethyl Ester | Ethyl5-nitropicolinate | AMY10226 | SY115123 | 5-n

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

DS-3235 | SB12681 | DTXSID30668430 | AKOS006326251 | Ethyl 5-nitropyridine-2-carboxylate | Ethyl 5-nitropicolinate | PZFHVUFNOKRFEC-UHFFFAOYSA-N | A876150 | 5-Nitro-2-pyridinecarboxylic Acid Ethyl Ester | Ethyl5-nitropicolinate | AMY10226 | SY115123 | 5-n

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas

CCOC(=O)C1=NC=C(C=C1)[N+](=O)[O-]

IUPAC Name

ethyl 5-nitropyridine-2-carboxylate

InChIKey

PZFHVUFNOKRFEC-UHFFFAOYSA-N

INCHI

1S/C8H8N2O4/c1-2-14-8(11)7-4-3-6(5-9-7)10(12)13/h3-5H,2H2,1H3

Isómeros SMILES

CCOC(=O)C1=NC=C(C=C1)[N+](=O)[O-]

Peso molecular

196.16

Reaxy-Rn

478394

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=478394&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Nitroaromatic compounds Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Nitroaromatic compound - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 196.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 196.048 Da
• Monoisotopic Mass: 196.048 Da
• Topological Polar Surface Area: 85.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 226.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 30563-98-5, the molecular formula is C8H8N2O4, and the molecular weight is 196.16 g/mol. InChIKey PZFHVUFNOKRFEC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.