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2-(3-Nitrophenyl)-1,3-oxathiepane
[CAS# 954236-28-3]

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CAS#: 954236-28-3
Product: 2-(3-Nitrophenyl)-1,3-oxathiepane
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Identification
Name 2-(3-Nitrophenyl)-1,3-oxathiepane
Molecular Structure CAS#: 954236-28-3, 2-(3-Nitrophenyl)-1,3-oxathiepane
Molecular Formula C11H13NO3S
Molecular Weight 239.29
CAS Registry Number 954236-28-3
SMILES c1cc(cc(c1)[N+](=O)[O-])C2OCCCCS2
InChI 1S/C11H13NO3S/c13-12(14)10-5-3-4-9(8-10)11-15-6-1-2-7-16-11/h3-5,8,11H,1-2,6-7H2
InChIKey BZWGZHJSXCJKOZ-UHFFFAOYSA-N
Properties
Density 1.255g/cm3 (Cal.)
Boiling point 388.947°C at 760 mmHg (Cal.)
Flash point 189.029°C (Cal.)
Refractive index 1.583 (Cal.)
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