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1-Tert-Butyl-4-(4-Isothiocyanatophenyl)-3,5,8-Trioxabicyclo[2.2.2]Octane
[CAS# 119963-45-0]

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Identification
Name 1-Tert-Butyl-4-(4-Isothiocyanatophenyl)-3,5,8-Trioxabicyclo[2.2.2]Octane
Synonyms 4-(T-Butyl)-1-(4-Isothiocyanatophenyl)-2,6,7-Trioxabicyclo(2.2.2)Octane; P-Ncs-Tbob
Molecular Structure CAS#: 119963-45-0, 1-Tert-Butyl-4-(4-Isothiocyanatophenyl)-3,5,8-Trioxabicyclo[2.2.2]Octane
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
Properties
Density 1.217g/cm3 (Cal.)
Boiling point 397.493°C at 760 mmHg (Cal.)
Flash point 194.197°C (Cal.)
Market Analysis Reports
List of Reports Available for 1-Tert-Butyl-4-(4-Isothiocyanatophenyl)-3,5,8-Trioxabicyclo[2.2.2]Octane
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