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Home >> Chemical Listing >> Page 2895 >> 2-Methyl-2-propanyl 2-isothiocyanatobenzoate

2-Methyl-2-propanyl 2-isothiocyanatobenzoate
[CAS# 890091-28-8]

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Identification
Name 2-Methyl-2-propanyl 2-isothiocyanatobenzoate
Synonyms 2-(tert-Butoxycarbonyl)phenyl isothiocyanate; tert-Butyl 2-isothiocyanatobenzoate
Molecular Structure CAS#: 890091-28-8, 2-Methyl-2-propanyl 2-isothiocyanatobenzoate
Molecular Formula C12H13NO2S
Molecular Weight 235.30
CAS Registry Number 890091-28-8
SMILES S=C=N/c1ccccc1C(=O)OC(C)(C)C
InChI 1S/C12H13NO2S/c1-12(2,3)15-11(14)9-6-4-5-7-10(9)13-8-16/h4-7H,1-3H3
InChIKey BQNHOZJEFVHSSF-UHFFFAOYSA-N
Properties
Density 1.083g/cm3 (Cal.)
Boiling point 346.825°C at 760 mmHg (Cal.)
Flash point 163.554°C (Cal.)
Refractive index 1.538 (Cal.)
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