Name | 1-Tert-Butyl-4-(4-Isothiocyanatophenyl)-3,5,8-Trioxabicyclo[2.2.2]Octane |
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Synonyms | 4-(T-Butyl)-1-(4-Isothiocyanatophenyl)-2,6,7-Trioxabicyclo(2.2.2)Octane; P-Ncs-Tbob |
Molecular Structure | ![]() |
Molecular Formula | C16H19NO3S |
Molecular Weight | 305.39 |
CAS Registry Number | 119963-45-0 |
SMILES | S=C=NC3=CC=C(C12OCC(CO1)(CO2)C(C)(C)C)C=C3 |
InChI | 1S/C16H19NO3S/c1-14(2,3)15-8-18-16(19-9-15,20-10-15)12-4-6-13(7-5-12)17-11-21/h4-7H,8-10H2,1-3H3 |
InChIKey | YQBOEEPCDKMJBG-UHFFFAOYSA-N |
Density | 1.217g/cm3 (Cal.) |
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Boiling point | 397.493°C at 760 mmHg (Cal.) |
Flash point | 194.197°C (Cal.) |
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List of Reports Available for 1-Tert-Butyl-4-(4-Isothiocyanatophenyl)-3,5,8-Trioxabicyclo[2.2.2]Octane |