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CAS No.: | 62438-03-3 |
---|---|
Name: | 5-METHYL-ISOXAZOLE-3-CARBOXYLIC ACID HYDRAZIDE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C5H7N3O2 |
Molecular Weight: | 141.129 |
Synonyms: | 5-Methyl-3-isoxazolecarboxylicacid hydrazide;NSC 306459;5-Methyl-1,2-oxazole-3-carbohydrazide;5-Methyl-3-isoxazolecarbohydrazide;5-Methyl-isoxazole-3-carboxylic acid hydrazide; |
Density: | 1.291 g/cm3 |
Hazard Symbols: | Xi |
Risk Codes: | R20/21/22 |
PSA: | 81.15000 |
LogP: | 0.67770 |
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The 3-Isoxazolecarboxylicacid, 5-methyl-, hydrazide, with the CAS registry number 62438-03-3, is also known as 5-Methyl-3-isoxazolecarboxylicacid hydrazide. It belongs to the product category of Amide. This chemical's molecular formula is C5H7N3O2 and molecular weight is 141.13. What's more, its systematic name is 5-methyl-1,2-oxazole-3-carbohydrazide.
Physical properties of 3-Isoxazolecarboxylicacid, 5-methyl-, hydrazide are: (1)ACD/LogP: -1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3.96; (6)ACD/KOC (pH 7.4): 3.96; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 49.58 Å2; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 33.99 cm3; (13)Molar Volume: 109.2 cm3; (14)Polarizability: 13.47×10-24cm3; (15)Surface Tension: 53.4 dyne/cm; (16)Density: 1.291 g/cm3.
Preparation: this chemical can be prepared by 5-methyl-isoxazole-3-carboxylic acid ethyl ester by heating. This reaction will need reagent hydrazine hydrate and solvent ethanol with the reaction time of 6 hours. The yield is about 82%.
Uses of 3-Isoxazolecarboxylicacid, 5-methyl-, hydrazideare: it can be used to produce 5-(5-methyl-isoxazol-3-yl)-3H-[1,3,4]oxadiazole-2-thione by heating. It will need reagent KOH and solvent ethanol. It's a reaction of cyclocondensation. The yield is about 87%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=NO1)C(=O)NN
(2)InChI: InChI=1S/C5H7N3O2/c1-3-2-4(8-10-3)5(9)7-6/h2H,6H2,1H3,(H,7,9)
(3)InChIKey: MKVLYUIHTXXSHQ-UHFFFAOYSA-N