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

CAS: 538-62-5 Cat. No.: D397582 Formula: C₁₃H₁₂N₄O Peso molecolare: 240.26 Beilstein Registry Number: 959475 Numero EC: 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

Sinonimi

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

Specifiche e purezza

1% (w/v) Alcoholic Solution

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light

Spedito in

Wet ice

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Nomi e identificatori

Pubchem Sid

528769749

Sorrisi canonici

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)

Isomeri SMILES

C1=CC=C(C=C1)NNC(=O)N=NC2=CC=CC=C2

WGK Germania

3

RTECS

LQ9420000

Peso molecolare

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
    • Classe Benzene and substituted derivatives
      • Subclass Phenylhydrazines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble: benzene, alcohol, chloroform; insoluble in water
• Sensibilità: Light sensitive
• Punto di fusione (°C): 157°C
• Peso molecolare: 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