2,3-Pyridinedicarboxylic anhydride - ≥98% , CAS No.699-98-9

CAS: 699-98-9 Cat. No.: P119980 Peso molecular: 149.1 Beilstein Registry Number: 125111 Número EC: 211-834-1

GRADE & PURITY ≥98%

Synonyms

SCHEMBL311088 | MFCD00005915 | PB28943 | 2,3-Pyridinedicarboxylic anhydride, 97% | UNII-2B2I45ZOD6 | FT-0609765 | 2,3-Pyridinedicarboxylic anhydride | 2B2I45ZOD6 | CK2611 | NSC 44309 | P1222 | AKOS000117980 | Furo(3,4-b)pyridine-5,7-dione | BP-13069 | PYR

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL311088 | MFCD00005915 | PB28943 | 2, 3-Pyridinedicarboxylic anhydride, 97% | UNII-2B2I45ZOD6 | FT-0609765 | 2, 3-Pyridinedicarboxylic anhydride | 2B2I45ZOD6 | CK2611 | NSC 44309 | P1222 | AKOS000117980 | Furo(3, 4-b)pyridine-5, 7-dione | BP-13069 | PYR

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504754425
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754425
• Sonrisas canónicas: C1=CC2=C(C(=O)OC2=O)N=C1
• IUPAC Name: furo[3,4-b]pyridine-5,7-dione
• InChIKey: MCQOWYALZVKMAR-UHFFFAOYSA-N
• INCHI: 1S/C7H3NO3/c9-6-4-2-1-3-8-5(4)7(10)11-6/h1-3H
• Isómeros SMILES: C1=CC2=C(C(=O)OC2=O)N=C1
• WGK Alemania: 3
• Peso molecular: 149.1
• Beilstein: 125111
• Reaxy-Rn: 125111
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125111&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: Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid anhydrides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridine carboxylic acid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid anhydride - Oxacycle - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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

• Solubilidad: Optimal solubility in water
• Sensibilidad: Moisture Sensitive
• Punto de fusión (°C): 138°C
• Peso molecular: 149.100 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 149.011 Da
• Monoisotopic Mass: 149.011 Da
• Topological Polar Surface Area: 56.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 214.000
• 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

Referencias

1. Jingxuan Li, Tiefeng Xu, Junting Gao, Zhendong Wang, Gangqiang Wang, Wenxing Chen, Wangyang Lu.  (2022)  Efficient peroxymonosulfate activation by N-rich pyridyl-iron phthalocyanine derivative for the elimination of pharmaceutical contaminants under solar irradiation.  CHEMOSPHERE,      [PMID:35358552] [10.1016/j.chemosphere.2022.134464]