フタラジン - ≥98% , CAS No.253-52-1

CAS: 253-52-1 Cat. No.: P160145 分子式: C₈H₆N₂ 分子量: 130.15 Beilstein Registry Number: 23174 EC番号: 205-963-2 PubChem CID: 9207

グレード＆純度 ≥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

2～8℃で保存

Shipped In

濡れた氷

概要

応用例

銅および白金錯体を含むフタラジン誘導体は、乳癌細胞株のアポトーシスおよび腎充血を誘導した。

仕様

同義語

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

仕様と純度

≥98%

保管条件

2～8℃で保存

入荷

濡れた氷

純度

≥98%

名前と識別子

パブケム・シド

488180941

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488180941

カノニカル・スマイル

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

異性体SMILES

C1=CC=C2C=NN=CC2=C1

WGKドイツ

3

PubChem CID

9207

分子量

130.15

Beilstein

23174

Reaxy-Rn

109240

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water; Soluble in Alcohol,Benzene
• 沸点（°C）: 189 °C
• 融点（°C）: 89-92°C
• 分子量: 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

よくある質問

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.