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3,6-Dinitrophthalic Acid
[CAS# 2300-16-5]

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Identification
Name 3,6-Dinitrophthalic Acid
Synonyms St5437542
Molecular Structure CAS#: 2300-16-5, 3,6-Dinitrophthalic Acid
Molecular Formula C8H4N2O8
Molecular Weight 256.13
CAS Registry Number 2300-16-5
EINECS 218-950-1
SMILES C1=C(C(=C(C(=C1)[N+](=O)[O-])C(O)=O)C(O)=O)[N+](=O)[O-]
InChI 1S/C8H4N2O8/c11-7(12)5-3(9(15)16)1-2-4(10(17)18)6(5)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKey MZDSOZBFTCRKNT-UHFFFAOYSA-N
Properties
Density 1.854g/cm3 (Cal.)
Boiling point 495.181°C at 760 mmHg (Cal.)
Flash point 219.195°C (Cal.)
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