Benzaldehyde Phenylhydrazone - ≥98%(HPLC) , CAS No.588-64-7

CAS: 588-64-7 Cat. No.: B152169 Molecular Weight: 196.25 Beilstein Registry Number: 15(2)57 EC Number: 209-625-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

Benzaldehyde phenylhydrazone | Diphenylhydrazone | N-[(Z)-(phenylmethylene)amino]aniline | LS-14192 | Benzylidenephenylhydrazine | Benzalphenylhydrazine | DS-9517 | Benzaldehyde, phenylhydrazone | 1-Phenyl-2-(phenylmethylidene)hydrazine | N-Phenyl-N'-benz

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Benzaldehyde phenylhydrazone | Diphenylhydrazone | N-[(Z)-(phenylmethylene)amino]aniline | LS-14192 | Benzylidenephenylhydrazine | Benzalphenylhydrazine | DS-9517 | Benzaldehyde, phenylhydrazone | 1-Phenyl-2-(phenylmethylidene)hydrazine | N-Phenyl-N'-benz

Specifications & Purity

≥98%(HPLC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504764171
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764171
• Canonical Smiles: C1=CC=C(C=C1)C=NNC2=CC=CC=C2
• IUPAC Name: N-[(E)-benzylideneamino]aniline
• InChIKey: JGOAZQAXRONCCI-SDNWHVSQSA-N
• INCHI: 1S/C13H12N2/c1-3-7-12(8-4-1)11-14-15-13-9-5-2-6-10-13/h1-11,15H/b14-11+
• Isomeric SMILES: C1=CC=C(C=C1)/C=N/NC2=CC=CC=C2
• Molecular Weight: 196.25
• Beilstein: 15(2)57
• Reaxy-Rn: 743427
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=743427&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: Hydrazones Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylhydrazine - Hydrazone - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - 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

• Sensitivity: Moisture sensitive
• Melt Point(°C): 156 °C
• Molecular Weight: 196.250 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 196.1 Da
• Monoisotopic Mass: 196.1 Da
• Topological Polar Surface Area: 24.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 189.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Long Jiang, Yaojie Liu, Lulu Zhang, Liang Qin, Zongjiang Yu, Mo Xian, Weizhi Sun, Chao Xu.  (2024)  Efficient capture of Pd by multidentate S/N-containing group modified materials: An important piece of puzzle for electron transfer ratio ligand design.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.151680]