5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole

Base Information

• Chemical Name: 5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole
• CAS No.: 1119449-45-4
• Molecular Formula: C12H17ClN2O
• Molecular Weight: 240.72918
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20377044
• Wikidata: Q82166070
• Mol file: 1119449-45-4.mol

Synonyms:5-tert-butyl-2-(chloromethyl)-1,3-benzoxazole;65999-87-3;5-(tert-butyl)-2-(chloromethyl)-1,3-benzoxazole;5-(tert-butyl)-2-(chloromethyl)benzoxazole;MFCD07366538;5-(tert-Butyl)-2-(chloromethyl)benzo[d]oxazole;SCHEMBL485730;DTXSID20377044;AC6555;STK502835;AKOS000321419;5-tert-butyl-2-chloromethylbenzooxazole;5-tert-Butyl-2-chloromethyl-benzooxazole;SY081627;BB 0240668;1Z-0828;A918167;J-516407

Chemical Property of 5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole

Chemical Property:

• Boiling Point: 298.0±23.0 °C(Predicted)
• PKA: 7.86±0.29(Predicted)
• PSA: 52.05000
• Density: 1.096±0.06 g/cm3(Predicted)
• LogP: 4.08630
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 223.0763918
• Heavy Atom Count: 15
• Complexity: 226

Purity/Quality:

98%min ^*data from raw suppliers

(5-tert-butyl-1,3-benzoxazol-2-yl)methylaminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC2=C(C=C1)OC(=N2)CCl