4-Isocyanato-3,5-dimethyl-1,2-oxazole

Base Information

• Chemical Name: 4-Isocyanato-3,5-dimethyl-1,2-oxazole
• CAS No.: 131825-41-7
• Molecular Formula: C6H6N2O2
• Molecular Weight: 138.126
• Hs Code.: 2934999090
• European Community (EC) Number: 641-351-5
• DSSTox Substance ID: DTXSID60371243
• Mol file: 131825-41-7.mol

Synonyms:131825-41-7;3,5-Dimethylisoxazol-4-yl isocyanate;4-isocyanato-3,5-dimethyl-1,2-oxazole;4-isocyanato-3,5-dimethylisoxazole;3,5-Dimethylisoxazol-4-ylisocyanate;3,5-Dimethylisoxazole-4-isocyanate;3,5-dimethylisoxazole-4-yl isocyanate;3,5-dimethyl isoxazol-4-yl isocyanate;Isoxazole, 4-isocyanato-3,5-dimethyl-;SCHEMBL635055;DTXSID60371243;JJQYAGYVYNMYGE-UHFFFAOYSA-N;4-isocyanato3,5-dimethyl-isoxazole;3,5-dimethylisoxazol4-yl isocyanate;4-isocyanato-3,5-dimethyl-isoxazole;MFCD00119910;3,5 dimethylisoxazol-4-yl isocyanate;AKOS000190235;PS-10313;FT-0614693;EN300-110528;W-205382

Chemical Property of 4-Isocyanato-3,5-dimethyl-1,2-oxazole

Chemical Property:

• Vapor Pressure: 0.0858mmHg at 25°C
• Refractive Index: 1.549
• Boiling Point: 225.6 °C at 760 mmHg
• Flash Point: 90.2 °C
• PSA: 55.46000
• Density: 1.23g/cm³
• LogP: 1.25870
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 138.042927438
• Heavy Atom Count: 10
• Complexity: 165

Purity/Quality:

98%min ^*data from raw suppliers

3,5-Dimethylisoxazol-4-ylIsocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22-36/37/38:
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C)N=C=O