4-Hydroxypyridazine - ≥97% , CAS No.20733-10-2

CAS: 20733-10-2 Cat. No.: H191985 Formula: C₄H₄N₂O Molecular Weight: 96.09 EC Number: 820-429-4

GRADE & PURITY ≥97%

Synonyms

AMY3028 | VHVUTJZQFZBIRR-UHFFFAOYSA-N | pyridazin-4-ol | 1H-pyridazin-4-one;4-Hydroxypyridazine | A814844 | 4(1H)-Pyridazinone # | 1,4-Dihydro-4-oxopyridazine | 1h-4-pyridazinone | AKOS015892494 | J-515981 | MFCD00233967 | 1H-pyridazin-4-one | D87946 | DT

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AMY3028 | VHVUTJZQFZBIRR-UHFFFAOYSA-N | pyridazin-4-ol | 1H-pyridazin-4-one;4-Hydroxypyridazine | A814844 | 4(1H)-Pyridazinone # | 1,4-Dihydro-4-oxopyridazine | 1h-4-pyridazinone | AKOS015892494 | J-515981 | MFCD00233967 | 1H-pyridazin-4-one | D87946 | DT

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

488190329

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190329

Canonical Smiles

C1=CNN=CC1=O

IUPAC Name

1H-pyridazin-4-one

InChIKey

VHVUTJZQFZBIRR-UHFFFAOYSA-N

INCHI

1S/C4H4N2O/c7-4-1-2-5-6-3-4/h1-3H,(H,5,7)

Isomeric SMILES

C1=CNN=CC1=O

Molecular Weight

96.09

Reaxy-Rn

106717

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106717&ln=

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: Vinylogous amides Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridazine - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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

• Molecular Weight: 96.090 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 96.0324 Da
• Monoisotopic Mass: 96.0324 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 137.000
• 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

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

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 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 20733-10-2, the molecular formula is C4H4N2O, and the molecular weight is 96.09 g/mol. InChIKey VHVUTJZQFZBIRR-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.