BENZALDEHYDE SEMICARBAZONE 97

The Hydrazinecarboxamide,2-(phenylmethylene)- with CAS registry number of 1574-10-3 is also known as 1-Benzylidenesemicarbazide. The IUPAC name is (Benzylideneamino)urea. It belongs to product categories of Hydrazones; Nitrogen Compounds; Organic Building Blocks. Its EINECS registry number is 216-397-0. In addition, the formula is C₈H₉N₃O and the molecular weight is 163.18. This chemical should be stored in dark, dry and ventilated place. During using it, do not breathe dust and avoid contact with skin and eyes.

Physical properties about Hydrazinecarboxamide,2-(phenylmethylene)- are: (1)ACD/LogP: 1.27; (2)ACD/LogD (pH 5.5): 1.27; (3)ACD/LogD (pH 7.4): 1.27; (4)ACD/BCF (pH 5.5): 5.43; (5)ACD/BCF (pH 7.4): 5.43; (6)ACD/KOC (pH 5.5): 116.92; (7)ACD/KOC (pH 7.4): 116.9; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.586; (12)Molar Refractivity: 45.73 cm³; (13)Molar Volume: 136.2 cm³; (14)Surface Tension: 49.1 dyne/cm; (15)Density: 1.19 g/cm³.

Preparation of Hydrazinecarboxamide,2-(phenylmethylene)-: it is prepared by reaction of benzaldehyde with semicarbazide; hydrochloride. The reaction needs reagent pyridine and solvents methanol, H₂O. The yield is about 77%.

Uses of Hydrazinecarboxamide,2-(phenylmethylene)-: it is used to produce 2-(4-chlorobenzyl)-1-benzylidenesemicarbazide by reaction with 1-chloro-4-chloromethyl-benzene. The reaction occurs with reagent sodium hydroxide and solvents ethanol, H₂O with other condition of heating for 9 hours. The yield is about 84.3%.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C=C1)C=NNC(=O)N
2. InChI: InChI=1S/C8H9N3O/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12)
3. InChIKey: AKGUXECGGCUDCV-UHFFFAOYSA-N