Phthalazine - ≥98% , CAS No.253-52-1

CAS: 253-52-1 Cat. No.: P160145 분자식: C₈H₆N₂ 분자량: 130.15 Beilstein Registry Number: 23174 EC 번호: 205-963-2 PubChem CID: 9207

등급 & 순도 ≥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

개요

Application：

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

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

488180941

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

C1=CC=C2C=NN=CC2=C1

WGK 독일

3

PubChem CID

9207

분자량

130.15

Beilstein

23174

Reaxy-Rn

109240

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

AOX1 Tchem Aldehyde oxidase (429 Activities)

Discover Target: AOX1

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

관련 대상(비인간)

PTR1 Pteridine reductase 1 (345 Activities)

Discover Target: PTR1

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water; Soluble in Alcohol,Benzene
• 끓는점(°C): 189 °C
• 녹는점(°C): 89-92°C
• 분자량: 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

자주 묻는 질문

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.