3,5-Pyrazoledicarboxylic acid monohydrate - ≥97% , CAS No.303180-11-2

CAS: 303180-11-2 Cat. No.: P169409 Formula: C₅H₄N₂O₄· H₂O Peso molecolare: 174.11 Beilstein Registry Number: 147821 Numero EC: 681-671-2 PubChem CID: 2723723

GRADE & PURITY ≥97%

Synonyms

3,5-Pyrazoledicarboxylic acid monohydrate | 1H-Pyrazole-3,5-Dicarboxylic Acid Monohydrate | 1H-Pyrazole-3,5-dicarboxylic acid, hydrate (1:1) | 1H-pyrazole-3,5-dicarboxylic Acid Hydrate | Pyrazole-3,5-dicarboxylic Acid Monohydrate

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

3,5-Pyrazoledicarboxylic acid monohydrate | 1H-Pyrazole-3,5-Dicarboxylic Acid Monohydrate | 1H-Pyrazole-3,5-dicarboxylic acid, hydrate (1:1) | 1H-pyrazole-3,5-dicarboxylic Acid Hydrate | Pyrazole-3,5-dicarboxylic Acid Monohydrate

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488192181

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192181

Sorrisi canonici

C1=C(NN=C1C(=O)O)C(=O)O.O

IUPAC Name

1H-pyrazole-3,5-dicarboxylic acid;hydrate

InChIKey

GLINCONFUZIMCN-UHFFFAOYSA-N

INCHI

1S/C5H4N2O4.H2O/c8-4(9)2-1-3(5(10)11)7-6-2;/h1H,(H,6,7)(H,8,9)(H,10,11);1H2

Isomeri SMILES

C1=C(NN=C1C(=O)O)C(=O)O.O

WGK Germania

3

PubChem CID

2723723

Peso molecolare

174.11

Beilstein

147821

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazole carboxylic acids and derivatives
• Alternative Parents: Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 292-295°C
• Peso molecolare: 174.110 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 174.028 Da
• Monoisotopic Mass: 174.028 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 193.000
• 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: 2

XLogP3

Domande frequenti

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 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 303180-11-2, the molecular formula is C5H6N2O5, and the molecular weight is 174.11 g/mol. InChIKey GLINCONFUZIMCN-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.