3-Nitrophthalic Anhydride

Molecule SVG Image

Properties Simple | Detailed

Formula C8H3NO5
IUPAC Name 4-nitroisobenzofuran-1,3-dione
Molecular Mass 193.113 g·mol−1
Heat of Formation -292.3 ± 16.7 kJ·mol−1
Dipole Moment 6.23 ± 1.08 D
Volume 187.36 Å 3
Surface Area 184.83 Å 2
HOMO Energy -11.44 ± 0.55 eV
LUMO Energy 0.66 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-isobenzofurandione, 4-nitro-
  • 4-nitro-2-benzofuran-1,3-dione
  • 4-nitroisobenzofuran-1,3-quinone
  • 4-nitrophthalic acid anhydride
  • 5-nitro-1,3-isobenzofurandione
  • phthalic anhydride, 3-nitro-
  • phthalic anhydride, 3-nitro- (8ci)
  • t5695601
CAS Number(s)
  • 641-70-3
InChIKey ROFZMKDROVBLNY-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N