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| CAS No.: | 537-47-3 |
|---|---|
| Name: | 4-PHENYLSEMICARBAZIDE |
| Article Data: | 49 |
| Molecular Structure: | |
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| Formula: | C7H9N3O |
| Molecular Weight: | 151.168 |
| Synonyms: | Semicarbazide,4-phenyl- (6CI,7CI,8CI);1-Amino-3-phenylurea;4-Phenylsemicarbazide;Anilinocarbonylhydrazine;Anilinoformylhydrazine;Hydrazinecarboxanilide;N-Phenylhydrazinecarboxamide;NSC 231527;Phenylaminocarbonylhydrazine; |
| EINECS: | 208-669-2 |
| Density: | 1.275 g/cm3 |
| Melting Point: | 122-125 °C(lit.) |
| Boiling Point: | 273.17°C (rough estimate) |
| Solubility: | 699.5mg/L(15 oC) |
| Appearance: | White flake or needle-like crystal |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| Safety: | 22-24/25 |
| PSA: | 67.15000 |
| LogP: | 1.84600 |
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Specification
The Hydrazinecarboxamide,N-phenyl- with CAS registry number of 537-47-3 is also known as N-Phenylhydrazinecarboxamide. The IUPAC name is 1-Amino-3-phenylurea. It belongs to product categories of API Intermediates; Life ScienceOrganic Building Blocks; Analytical Reagents; Carbonyl Compounds; Special Applications; Ureas; Organic Building Blocks. Its EINECS registry number is 208-669-2. In addition, the formula is C7H9N3O and the molecular weight is 151.17. This chemical is a white flake or needle-like crystal and should be stored in cool, dry and ventilated room away from fire and heat. What's more, it is used as reagent for determination of ketones and aldehydes. During using it, do not breathe dust and avoid contact with skin and eyes.
Physical properties about Hydrazinecarboxamide,N-phenyl- are: (1)ACD/LogP: 0.13; (2)ACD/LogD (pH 5.5): 0.13; (3)ACD/LogD (pH 7.4): 0.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27.82; (7)ACD/KOC (pH 7.4): 27.86; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.646; (12)Molar Refractivity: 43.02 cm3; (13)Molar Volume: 118.5 cm3; (14)Surface Tension: 58.8 dyne/cm; (15)Density: 1.275 g/cm3.
Preparation of Hydrazinecarboxamide,N-phenyl-: it is prepared by reaction of phenyl urea and 42% hydrazine hydrate with condition of heating for 12 hours. After the reaction, the mixture is bleached, concentrated, cooled and crystallized to generate the crude product. At last, product is obtained by filtered and dried.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C=C1)NC(=O)NN
2. InChI: InChI=1S/C7H9N3O/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11)
3. InChIKey: MOCKWYUCPREFCZ-UHFFFAOYSA-N