4-Nitropicolinaldehyde - ≥98% , CAS No.108338-19-8

CAS: 108338-19-8 Cat. No.: N189627 Fórmula: C₆H₄N₂O₃ Peso molecular: 152.11

GRADE & PURITY ≥98%

Synonyms

4-Nitropicolinaldehyde|108338-19-8|4-Nitropyridine-2-carbaldehyde|2-Pyridinecarboxaldehyde, 4-nitro-|SCHEMBL2085482|DTXSID50561878|XWFNGAKFHUOJCQ-UHFFFAOYSA-N|MFCD07374896|ZB0355|AKOS006285848|AB40661|4-NITRO-PYRIDINE-2-CARBALDEHYDE|AS-50516|FT-0757102|P1

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-Nitropicolinaldehyde | 108338-19-8 | 4-Nitropyridine-2-carbaldehyde | 2-Pyridinecarboxaldehyde, 4-nitro- | SCHEMBL2085482 | DTXSID50561878 | XWFNGAKFHUOJCQ-UHFFFAOYSA-N | MFCD07374896 | ZB0355 | AKOS006285848 | AB40661 | 4-NITRO-PYRIDINE-2-CARBALDEHYDE | AS-50516 | FT-0757102 | P1

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CN=C(C=C1[N+](=O)[O-])C=O
• IUPAC Name: 4-nitropyridine-2-carbaldehyde
• InChIKey: XWFNGAKFHUOJCQ-UHFFFAOYSA-N
• INCHI: 1S/C6H4N2O3/c9-4-5-3-6(8(10)11)1-2-7-5/h1-4H
• Isómeros SMILES: C1=CN=C(C=C1[N+](=O)[O-])C=O
• Peso molecular: 152.11
• Reaxy-Rn: 4245348
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4245348&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridine carboxaldehydes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridine carboxaldehydes
• Alternative Parents: Nitroaromatic compounds Aryl-aldehydes Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - 2-pyridine carboxaldehyde - Aryl-aldehyde - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aldehyde - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde 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: 152.110 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 152.022 Da
• Monoisotopic Mass: 152.022 Da
• Topological Polar Surface Area: 75.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 166.000
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 108338-19-8, the molecular formula is C6H4N2O3, and the molecular weight is 152.11 g/mol. InChIKey XWFNGAKFHUOJCQ-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.