Pyridazine-4,5-dicarboxylic acid - ≥97% , CAS No.59648-14-5

CAS: 59648-14-5 Cat. No.: P344353 Molecular Weight: 168.11 EC Number: 672-883-6 PubChem CID: 6417081

GRADE & PURITY ≥97%

Synonyms

4,5-Pyridazinedicarboxylic acid | A832398 | J-524087 | EN300-93206 | MFCD06742784 | AKOS000320055 | DTXSID10423509 | PS-8731 | SCHEMBL70537 | PYRIDAZINE-4,5-DICARBOXYLICACID | 4,5-Dicarboxypyridazine | Pyridazine-4,5-dicarboxylic Acid | YRTBTTMXMPXJBB-UHF

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

4, 5-Pyridazinedicarboxylic acid | A832398 | J-524087 | EN300-93206 | MFCD06742784 | AKOS000320055 | DTXSID10423509 | PS-8731 | SCHEMBL70537 | PYRIDAZINE-4, 5-DICARBOXYLICACID | 4, 5-Dicarboxypyridazine | Pyridazine-4, 5-dicarboxylic Acid | YRTBTTMXMPXJBB-UHF

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=C(C(=CN=N1)C(=O)O)C(=O)O
• IUPAC Name: pyridazine-4,5-dicarboxylic acid
• InChIKey: YRTBTTMXMPXJBB-UHFFFAOYSA-N
• INCHI: 1S/C6H4N2O4/c9-5(10)3-1-7-8-2-4(3)6(11)12/h1-2H,(H,9,10)(H,11,12)
• Isomeric SMILES: C1=C(C(=CN=N1)C(=O)O)C(=O)O
• PubChem CID: 6417081
• Molecular Weight: 168.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridazines and derivatives
• Alternative Parents: Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridazine - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridazines and derivatives. These are compounds containing a pyridazine ring, which is a six-member aromatic ring containing two nitrogen atoms at positions 1 and 2, and four carbon atoms.
• 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

Chemical and Physical Properties

• Sensitivity: moisture sensitive
• Melt Point(°C): >210°(dec)
• Molecular Weight: 168.110 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 168.017 Da
• Monoisotopic Mass: 168.017 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 184.000
• 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