Hydroxy-4-methylphthalazine - ≥98% , CAS No.5004-48-8

CAS: 5004-48-8 Cat. No.: H347809 Summenformel: C₉H₈N₂O Molekulargewicht: 160.17 EG-Nummer: 828-285-4

GRADE & PURITY ≥98%

Synonyms

NSC116342 | NSC-116342 | Z56877312 | Hydroxy-4-methylphthalazine | GEO-04153 | 4-methylphthalazinone | SMR000414227 | SCHEMBL8273098 | QRNVHFPDZAZUGX-UHFFFAOYSA-N | SCHEMBL555280 | 4-Methylphthalazin-1-ol | STK877962 | 4-METHYL-1(2H)-PHTHALAZINONE | 4-MET

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

NSC116342 | NSC-116342 | Z56877312 | Hydroxy-4-methylphthalazine | GEO-04153 | 4-methylphthalazinone | SMR000414227 | SCHEMBL8273098 | QRNVHFPDZAZUGX-UHFFFAOYSA-N | SCHEMBL555280 | 4-Methylphthalazin-1-ol | STK877962 | 4-METHYL-1(2H)-PHTHALAZINONE | 4-MET

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488182669
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182669
• Kanonisches Lächeln: CC1=NNC(=O)C2=CC=CC=C12
• IUPAC Name: 4-methyl-2H-phthalazin-1-one
• InChIKey: QRNVHFPDZAZUGX-UHFFFAOYSA-N
• INCHI: 1S/C9H8N2O/c1-6-7-4-2-3-5-8(7)9(12)11-10-6/h2-5H,1H3,(H,11,12)
• Isomere SMILES: CC1=NNC(=O)C2=CC=CC=C12
• Molekulargewicht: 160.17
• Reaxy-Rn: 129393
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=129393&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazanaphthalenes
      • Subclass Benzodiazines
        • Ebene5 Phthalazines
          • Ebene6 Phthalazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Phthalazines
• Direct Parent: Phthalazinones
• Alternative Parents: Pyridazinones Benzenoids Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalazinone - Pyridazinone - Benzenoid - Pyridazine - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Schmelzpunkt (°C): 223-224° C (lit.)
• Molekulargewicht: 160.170 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.064 Da
• Monoisotopic Mass: 160.064 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 235.000
• 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

Häufig gestellte Fragen

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 5004-48-8, the molecular formula is C9H8N2O, and the molecular weight is 160.17 g/mol. InChIKey QRNVHFPDZAZUGX-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.