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| CAS No.: | 621-12-5 |
|---|---|
| Name: | 1,4-DIPHENYLSEMICARBAZIDE |
| Molecular Structure: | |
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| Formula: | C13H13N3O |
| Molecular Weight: | 227.266 |
| Synonyms: | Semicarbazide, 1,4-diphenyl-;1,4-Diphenylsemicarbazide;N,N'-Diphenylsemicarbazide;AI3-00497;N,2-Diphenylhydrazinecarboxamide;NSC 6790;1-Anilino-3-phenylurea; |
| Density: | 1.271 g/cm3 |
| Melting Point: | 181 °C |
| Solubility: | Soluble in hot alcohol, benzene, hot acetone, slightly soluble in cold ethanol and cold acetone, insoluble in water |
| Appearance: | Colorless needle-like crystal |
| PSA: | 53.16000 |
| LogP: | 3.37210 |
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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%.
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