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

CAS: 1445-69-8 Cat. No.: P101914 Molecular Weight: 162.15 EC Number: 215-893-4

GRADE & PURITY ≥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 | SY029501 | AKOS005700317 | BS-3876 | F0451-0418 | SCHEMBL29766 | 1,2,3,4-tetrahydrophthalazine-1,4-dion

Storage

Room temperature

Shipped In

Normal

Overview

application：

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

Specifications

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 | SY029501 | AKOS005700317 | BS-3876 | F0451-0418 | SCHEMBL29766 | 1, 2, 3, 4-tetrahydrophthalazine-1, 4-dion

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488188641
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188641
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)NNC2=O
• WGK Germany: 3
• RTECS: TH8890080
• Molecular Weight: 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
    • Class Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Phthalazines
          • Level6 Phthalazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in acetone and acetic acid.
• Melt Point(°C): >300°C
• Molecular Weight: 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

References

1. Jin Xu, Chengzhuo Yu, Silong Wang, Li Xiong, Fanglan Geng, Jitao Lv, Lixia Zhao, Yawei Wang.  (2023)  Quantitative generation of ROS and their effective photocatalytic antibacterial activity of high-intensity universal P25 network films: The role of ROS.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.110915]

2. Wanchao Yu, Xiaoshan Zheng, Mengxi Tan, Jingyi Wang, Binbin Wu, Junye Ma, Yishuai Pan, Baoliang Chen, Chiheng Chu.  (2024)  Field Quantification of Hydroxyl Radicals by Flow-Injection Chemiluminescence Analysis with a Portable Device.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:38227742] [10.1021/acs.est.3c09140]

3. Shengmao Chao, Chiara Valsecchi, Ji Sun, Hong Shao, Xinxia Li, Changyu Tang, Meikun Fan.  (2024)  Highly Sensitive Surface-Enhanced Raman Scattering Detection of Hydroxyl Radicals in Water Microdroplets Using Phthalhydrazide/Ag Nanoparticles Nanosensor.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:39114886] [10.1021/acs.est.4c03081]