5-Tert-butyl-3-isocyanato-1,2-oxazole

Base Information

• Chemical Name: 5-Tert-butyl-3-isocyanato-1,2-oxazole
• CAS No.: 55809-53-5
• Molecular Formula: C8H10N2O2
• Molecular Weight: 166.18
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20512938
• Mol file: 55809-53-5.mol

Synonyms:55809-53-5;5-TERT-BUTYL-3-ISOCYANATO-1,2-OXAZOLE;5-tert-Butyl-3-isocyanatoisoxazole;5-(tert-Butyl)-3-isocyanatoisoxazole;5-tert-butyl-3-isocyanato-isoxazole;starbld0006111;SCHEMBL73734;5-tert-butyl-3isocyanatoisoxazole;DTXSID20512938;IQMVRIMSTBTDLV-UHFFFAOYSA-N;5-t-butyl-3-isoxazolyl isocyanate;5-tert-butyl-3 isocyanatoisoxazole;5-tert.-butyl-3-isoxazolyl isocyanate;AKOS006227934;5-TERT-BUTYL-3-ISOXAZOLYL ISOCYANATE;CS-0255027;3-isocyanato-5-(tertiary-butyl)-1,2-oxazole;3-isocyanato-5-(1,1-dimethylethyl)-isoxazole

Chemical Property of 5-Tert-butyl-3-isocyanato-1,2-oxazole

Chemical Property:

• Boiling Point: 221.4 °C at 760 mmHg
• PKA: -4.01±0.50(Predicted)
• Flash Point: 87.7 °C
• PSA: 55.46000
• Density: 1.11 g/cm³
• LogP: 1.93940
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

5-TERT-BUTYL-3-ISOCYANATOISOXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=NO1)N=C=O