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CAS No.: | 2492-30-0 |
---|---|
Name: | ACETOPHENONESEMICARBAZONE |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C9H11N3O |
Molecular Weight: | 177.206 |
Synonyms: | 2-(1-Phenylethylidene)hydrazinecarboxamide;AI3-16976;Acetophenone semicarbazone;NSC 21616;Hydrazinecarboxamide, 2-(1-phenylethylidene)- (9CI);(1-Phenylethylideneamino)urea; |
Density: | 1.16 g/cm3 |
Melting Point: | 207~209℃ |
Risk Codes: | 36/37/38 |
Safety: | 36/37/39 |
PSA: | 67.48000 |
LogP: | 2.17010 |
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The Hydrazinecarboxamide,2-(1-phenylethylidene)- with CAS registry number of 2492-30-0 is also known as Acetophenone semicarbazone. The IUPAC name is (1-Phenylethylideneamino)urea. In addition, the formula is C9H11N3O and the molecular weight is 177.20.
Physical properties about Hydrazinecarboxamide,2-(1-phenylethylidene)- are: (1)ACD/LogP: 0.71; (2)ACD/LogD (pH 5.5): 0.71; (3)ACD/LogD (pH 7.4): 0.71; (4)ACD/BCF (pH 5.5): 2.06; (5)ACD/BCF (pH 7.4): 2.06; (6)ACD/KOC (pH 5.5): 58.29; (7)ACD/KOC (pH 7.4): 58.28; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 50.16 cm3; (13)Molar Volume: 151.5 cm3; (14)Surface Tension: 44.7 dyne/cm; (15)Density: 1.16 g/cm3.
Uses of Hydrazinecarboxamide,2-(1-phenylethylidene)-: it is used to produce 4-phenyl-[1,2,3]thiadiazole. The reaction occurs with reagent SOCl2 at ambient temperature. The yield is about 90%.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(=NNC(=O)N)C1=CC=CC=C1
2. InChI: InChI=1S/C9H11N3O/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-6H,1H3,(H3,10,12,13)
3. InChIKey: CPXYGYOMIMOSCX-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mouse | LDLo | intraperitoneal | 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 9, Pg. 128, 1957. |