Phthalhydrazide - ≥99% , CAS No.1445-69-8

CAS: 1445-69-8 Cat. No.: P101914 分子式: C₈H₆N₂O₂ 分子量: 162.15 EC番号: 215-893-4

グレード＆純度 ≥99%

Synonyms

4-hydroxyphthalazin-1(2H)-one|1,4-Dioxo-1,2,3,4-tetrahydrophthalazine|2-[[2-(4-chlorophenyl)-4 -methyl-5-oxazolyl]methoxy]-2-methylpropionic acid|1,2,3,4-tetrahydrophthalazine-1,4-dione|2,3-Dihydrophthalazine-1,4-dione; 2,3-Dihydro-1,4-phthalazinedione|phthalazine-1,4-diol|2,3-Dihydro-1,4-phthalazinedione|Phthalhydrazide|2,3-dihydro-phthalazine-1,4-dione|2,3-Dihydrophthalazine-1,4-dione|1,4-Phthalazinedione, 2,3-dihydro-|MDMA HYDROCHLORIDE [INCB GREEN LIST]|Phthaloylhydrazine|2,4-PHTHALAZINEDIONE|1,4-di-hydroxyphthalazine|2,3-Dihydro-1,4-phthalazinedione #|2,3-dihydrophathalazine-1,4-dione|hydroxyphthalazinone|dihydroxy-phthalazine|Phthalazine-1,4(2H,3H)-dione

Storage

Room temperature

Shipped In

Normal

概要

application：

Phthalhydrazide is a reagent used in the synthesis of various pyrazolophthalazine derivatives is and used in medicine double hydrazine phthalocyanine work intermediates.

仕様

同義語

4-hydroxyphthalazin-1(2H)-one | 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine | 2-[[2-(4-chlorophenyl)-4 -methyl-5-oxazolyl]methoxy]-2-methylpropionic acid | 1,2,3,4-tetrahydrophthalazine-1,4-dione | 2,3-Dihydrophthalazine-1,4-dione; 2,3-Dihydro-1,4-phthalazinedione | phthalazine-1,4-diol | 2,3-Dihydro-1,4-phthalazinedione | Phthalhydrazide | 2 もっと見る

仕様と純度

≥99%

保管条件

Room temperature

入荷

Normal

純度

≥99%

名前と識別子

パブケム・シド

488188641

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488188641

カノニカル・スマイル

C1=CC=C2C(=C1)C(=O)NNC2=O

IUPAC Name

2,3-dihydrophthalazine-1,4-dione

InChIKey

KGLPWQKSKUVKMJ-UHFFFAOYSA-N

INCHI

1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)8(12)10-9-7/h1-4H,(H,9,11)(H,10,12)

異性体SMILES

C1=CC=C2C(=C1)C(=O)NNC2=O

WGKドイツ

3

RTECS

TH8890080

分子量

162.15

Reaxy-Rn

135926

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135926&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Phthalazines
          • Level6 Phthalazinones

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

化学的性質と物理的性質

• 溶解度: Soluble in acetone and acetic acid.
• 融点（°C）: >300°C
• 分子量: 162.150 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.043 Da
• Monoisotopic Mass: 162.043 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 203.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 1445-69-8, the molecular formula is C8H6N2O2, and the molecular weight is 162.15 g/mol. InChIKey KGLPWQKSKUVKMJ-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.