Phthalazine - ≥98% , CAS No.253-52-1

CAS: 253-52-1 Cat. No.: P160145 Fórmula: C₈H₆N₂ Peso molecular: 130.15 Beilstein Registry Number: 23174 Número CE: 205-963-2 PubChem CID: 9207

GRADE & PURITY ≥98%

Synonyms

PHTHALAZINE [USP IMPURITY] | Q6593919 | CCRIS 6894 | DTXCID8029367 | 2,3-Benzodiazine | NSC62484 | NSC-62484 | InChI=1/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6 | P0694 | AKOS009157299 | phthalazin | AS-15090 | EINECS 205-963-2 | Phthalazine, 98% | FT-0631890

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Application：

Phthalazine derivatives including copper and platinum complexes were induce the apoptosis in breast cancer cell lines and renal hyperemia.

Specifications

Sinónimos

PHTHALAZINE [USP IMPURITY] | Q6593919 | CCRIS 6894 | DTXCID8029367 | 2,3-Benzodiazine | NSC62484 | NSC-62484 | InChI=1/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6 | P0694 | AKOS009157299 | phthalazin | AS-15090 | EINECS 205-963-2 | Phthalazine, 98% | FT-0631890

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488180941
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180941
• Sorrisos canónicos: C1=CC=C2C=NN=CC2=C1
• IUPAC Name: phthalazine
• InChIKey: LFSXCDWNBUNEEM-UHFFFAOYSA-N
• INCHI: 1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H
• SMILES isoméricas: C1=CC=C2C=NN=CC2=C1
• WGK Alemanha: 3
• PubChem CID: 9207
• Peso molecular: 130.15
• Beilstein: 23174
• Reaxy-Rn: 109240

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalazines
• Alternative Parents: Pyridazines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalazine - Benzenoid - Pyridazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.
• External Descriptors: mancude organic heterobicyclic parent - phthalazines - azaarene - ortho-fused heteroarene

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

Alvos associados (humanos)

AOX1 Tchem Aldehyde oxidase (429 Activities)

Discover Target: AOX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

PTR1 Pteridine reductase 1 (345 Activities)

Discover Target: PTR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water; Soluble in Alcohol,Benzene
• Ponto de ebulição (°C): 189 °C
• Ponto de fusão (°C): 89-92°C
• Peso molecular: 130.150 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 130.053 Da
• Monoisotopic Mass: 130.053 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 99.800
• 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

Referências

1. Yifan Li, Chang Chen, Rui Cao, Ziwei Pan, Hua He, Kebin Zhou.  (2020)  Dual-atom Ag2/graphene catalyst for efficient electroreduction of CO2 to CO.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2020.118747]

Perguntas frequentes

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 253-52-1, the molecular formula is C8H6N2, and the molecular weight is 130.15 g/mol. InChIKey LFSXCDWNBUNEEM-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.