Diphenylcarbazone - 1% (w/v) Alcoholic Solution , CAS No.538-62-5

CAS: 538-62-5 Cat. No.: D397582 Molecular Weight: 240.26 Beilstein Registry Number: 959475 EC Number: 208-698-0

GRADE & PURITY 1% (w/v) Alcoholic Solution

Synonyms

Diphenylcarbazone, (E)- | diphenylcarbazon | 4-16-00-00017 (Beilstein Handbook Reference) | Diazenecarboxylic acid, phenyl-, 2-phenylhydrazide | Diphenylcarbazone (E)-form | 3-Hydroxy-1,5-diphenylformazan | AKOS003273042 | (E)-1,5-Diphenylcarbazone | UNII

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

Diphenylcarbazone, (E)- | diphenylcarbazon | 4-16-00-00017 (Beilstein Handbook Reference) | Diazenecarboxylic acid, phenyl-, 2-phenylhydrazide | Diphenylcarbazone (E)-form | 3-Hydroxy-1, 5-diphenylformazan | AKOS003273042 | (E)-1, 5-Diphenylcarbazone | UNII

Specifications & Purity

1% (w/v) Alcoholic Solution

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)NNC(=O)N=NC2=CC=CC=C2
• IUPAC Name: 1-anilino-3-phenyliminourea
• InChIKey: ZFWAHZCOKGWUIT-UHFFFAOYSA-N
• INCHI: 1S/C13H12N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)
• Isomeric SMILES: C1=CC=C(C=C1)NNC(=O)N=NC2=CC=CC=C2
• WGK Germany: 3
• RTECS: LQ9420000
• Molecular Weight: 240.26
• Beilstein: 959475
• Reaxy-Rn: 959475
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=959475&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylhydrazines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylhydrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylhydrazines
• Alternative Parents: Semicarbazides Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylhydrazine - Semicarbazide - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble: benzene, alcohol, chloroform; insoluble in water
• Sensitivity: Light sensitive
• Melt Point(°C): 157°C
• Molecular Weight: 240.260 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 240.101 Da
• Monoisotopic Mass: 240.101 Da
• Topological Polar Surface Area: 65.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 281.000
• 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. Feng Li, Zhen Wu, Xiaolong Tang, Xiangwei Li, Xingqiang Liu, Shuyuan Yu, Longfu Wei, Changlin Yu.  (2023)  Facile construction of a dual-Z-scheme TiO2/CaTi4O9/CaTiO3 heterojunction photocatalyst with superior photocatalytic performance for hydrogen production and Cr(VI) reduction.  Journal of Water Process Engineering,      [PMID:] [10.1016/j.jwpe.2023.104470]

2. Yunxiao Ban, Zhijie Wan, Cong Ma, Yuzhen Wu, Haoran Chen.  (2025)  Research on the performance of coagulation with dual high molecular weight flocculant PAC-NPAM for the treatment of Cr (VI) containing wastewater in a magnetic levitation fixed bed.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2025.121518]