Product Name

  • Name

    1,4-DIPHENYLSEMICARBAZIDE

  • EINECS
  • CAS No. 621-12-5
  • Article Data15
  • CAS DataBase
  • Density 1.271 g/cm3
  • Solubility Soluble in hot alcohol, benzene, hot acetone, slightly soluble in cold ethanol and cold acetone, insoluble in water
  • Melting Point 181 °C
  • Formula C13H13N3O
  • Boiling Point
  • Molecular Weight 227.266
  • Flash Point
  • Transport Information
  • Appearance Colorless needle-like crystal
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 621-12-5 (1,4-DIPHENYLSEMICARBAZIDE)
  • Hazard Symbols
  • Synonyms Semicarbazide, 1,4-diphenyl-;1,4-Diphenylsemicarbazide;N,N'-Diphenylsemicarbazide;AI3-00497;N,2-Diphenylhydrazinecarboxamide;NSC 6790;1-Anilino-3-phenylurea;
  • PSA 53.16000
  • LogP 3.37210

Hydrazinecarboxamide,N,2-diphenyl- Specification

The Hydrazinecarboxamide,N,2-diphenyl- with CAS registry number of 621-12-5 is also known as 1,4-Diphenylsemicarbazide. The IUPAC name is 1-Anilino-3-phenylurea. In addition, the formula is C13H13N3O and the molecular weight is 227.26. This chemical is a colorless needle-like crystal.

Physical properties about Hydrazinecarboxamide,N,2-diphenyl- are: (1)ACD/LogP: 2.42; (2)ACD/LogD (pH 5.5): 2.41; (3)ACD/LogD (pH 7.4): 2.41; (4)ACD/BCF (pH 5.5): 40.25; (5)ACD/BCF (pH 7.4): 39.85; (6)ACD/KOC (pH 5.5): 489.51; (7)ACD/KOC (pH 7.4): 484.59; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.694; (12)Molar Refractivity: 68.66 cm3; (13)Molar Volume: 178.6 cm3; (14)Surface Tension: 58.1 dyne/cm; (15)Density: 1.271 g/cm3.

Preparation of Hydrazinecarboxamide,N,2-diphenyl-: it is prepared by reaction of phenylhydrazine with phenyl-urea. Firstly, phenylhydrazine and phenyl-urea are added to xylene, stirred, heated and refluxed for 12 hours. After the reaction, the mixture is cooled, filtered and crystallized. Secondly, crude product is obtained by washing with water and cold ethanol. At last, product is derived by recrystalling with ethanol.

Uses of Hydrazinecarboxamide,N,2-diphenyl-: it is used to produce phenyl-diazenecarboxylic acid anilide. The reaction occurs with reagents potassium ferricyanide, phenol, 2 N aq. NaOH and solvent ethanol. The yield is about 96.9%.

Hydrazinecarboxamide,N,2-diphenyl- is used to produce phenyl-diazenecarboxylic acid anilide.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C=C1)NC(=O)NNC2=CC=CC=C2
2. InChI: InChI=1S/C13H13N3O/c17-13(14-11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H,(H2,14,16,17)
3. InChIKey: NGZZNUMYERKSQA-UHFFFAOYSA-N

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