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5-Nitro-1,2-Benzisoxazole
[CAS# 39835-28-4]

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Identification
Name 5-Nitro-1,2-Benzisoxazole
Synonyms 5-Nitroindoxazene; 5-Nitrobenzisoxazole
Molecular Formula C7H4N2O3
Molecular Weight 164.12
CAS Registry Number 39835-28-4
SMILES C1=C([N+]([O-])=O)C=CC2=C1C=NO2
InChI 1S/C7H4N2O3/c10-9(11)6-1-2-7-5(3-6)4-8-12-7/h1-4H
InChIKey TWOYWCWKYDYTIP-UHFFFAOYSA-N
Properties
Density 1.473g/cm3 (Cal.)
Boiling point 321.734°C at 760 mmHg (Cal.)
Flash point 148.38°C (Cal.)
Safety Data
SDS Available
References
(1) Jaap E. Klijn and Jan B. F. N. Engberts. The Kemp elimination in membrane mimetic reaction media. Probing catalytic properties of cationic vesicles formed from a double-tailed amphiphile and linear long-tailed alcohols or alkyl pyranosides, Org. Biomol. Chem., 2004, 2, 1789.
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