3-Methylisoxazole

Base Information

• Chemical Name: 3-Methylisoxazole
• CAS No.: 30842-90-1
• Molecular Formula: C4H5NO
• Molecular Weight: 83.0898
• Hs Code.: 2934999090
• European Community (EC) Number: 838-980-4
• NSC Number: 52270
• UNII: P8WZL93LEO
• DSSTox Substance ID: DTXSID20184856
• Nikkaji Number: J674B
• Wikidata: Q72492328
• Mol file: 30842-90-1.mol

Synonyms:3-Methylisoxazole;30842-90-1;Isoxazole, 3-methyl-;3-methyl-1,2-oxazole;3-Methyl-isoxazole;P8WZL93LEO;NSC-52270;methylisoxazole;NSC 52270;Isoxazole, 3-methyl- (8CI)(9CI);UNII-P8WZL93LEO;DTXSID20184856;NSC52270;MFCD00020814;AKOS006273748;AB01288;AS-57288;N-Benzyl-N,N-bis(2-chloroethyl)amine;HCl;CS-0152708;FT-0648532;EN300-88524

Chemical Property of 3-Methylisoxazole

Chemical Property:

• Vapor Pressure: 19.7mmHg at 25°C
• Refractive Index: 1.438
• Boiling Point: 118.7 °C at 760 mmHg
• PKA: -1.39±0.50(Predicted)
• Flash Point: 21.3 °C
• PSA: 26.03000
• Density: 1.016 g/cm³
• LogP: 0.98300
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 83.037113783
• Heavy Atom Count: 6
• Complexity: 46.8

Purity/Quality:

99% ^*data from raw suppliers

3-Methylisoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NOC=C1

Technology Process of 3-Methylisoxazole

There total 3 articles about 3-Methylisoxazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

N,N-bis-(3-methyl-4,5-dihydro-isoxazol-5-yl)-hydroxylamine → 5-methylisoxazole (5765-44-6) + 3-methylisoxazole (30842-90-1)

Guidance literature:

With hydrogenchloride; Trennung von 3-Methyl-isoxazol;

Reference yield:

→ 5-methylisoxazole (5765-44-6) + 3-methylisoxazole (30842-90-1)

Guidance literature:

With hydrogenchloride; hydroxylamine hydrochloride;

Reference yield:

→ 5-methylisoxazole (5765-44-6) + 3-methylisoxazole (30842-90-1)

Guidance literature:

With hydrogenchloride;

Downstream raw materials:

ethyl acetate

acetonitrile

3-methyl-4-nitroisoxazole

4-chloromethyl-3-methyl-isoxazole