3-Isoxazolecarboxylicacid, 5-methyl-, hydrazide supplier

Name
5-METHYL-ISOXAZOLE-3-CARBOXYLIC ACID HYDRAZIDE
EINECS
CAS No. 62438-03-3
Article Data10
CAS DataBase
Density 1.291 g/cm³
Solubility
Melting Point
Formula C₅H₇N₃O₂
Boiling Point
Molecular Weight 141.129
Flash Point
Transport Information
Appearance
Safety
Risk Codes R20/21/22
Molecular Structure
Hazard Symbols Xi
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;
PSA 81.15000
LogP 0.67770

3-Isoxazolecarboxylicacid, 5-methyl-, hydrazide Specification

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%.

3-Isoxazolecarboxylicacid, 5-methyl-, hydrazideare can be prepared by 5-methyl-isoxazole-3-carboxylic acid ethyl ester by heating

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%.

3-Isoxazolecarboxylicacid, 5-methyl-, hydrazideare can be used to produce 5-(5-methyl-isoxazol-3-yl)-3H-[1,3,4]oxadiazole-2-thione by heating

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

Product Name

5-METHYL-ISOXAZOLE-3-CARBOXYLIC ACID HYDRAZIDE

3-Isoxazolecarboxylicacid, 5-methyl-, hydrazide Specification

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