2,3-Naphthalenedicarboxylic anhydride

C12H6O3CAS 716-39-2198.18 g/mol

Open in Covalent MOL file
OOO
Acid anhydride

Properties

Molecular formula
C12H6O3
Molar mass
198.18 g/mol
Exact mass
198.0317 Da
Melting point
246 °C
Boiling point
275–280 °C (at 100 Torr)
logP
2.15Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
716-39-2
SMILES
O=C1OC(=O)c2cc3ccccc3cc21
InChIKey
IZJDCINIYIMFGX-UHFFFAOYSA-N
InChI
InChI=1S/C12H6O3/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12(14)15-11/h1-6H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Naphtho[2,3-c]furan-1,3-dione
  • 1,3-Ββ-Isonaphthofurandione
  • 2,3-Naphthalenedicarboxylic acid anhydride
  • 2,3-Naphthalic anhydride
  • Naphtho(2,3-c)furan-1,3-dione

Work with 2,3-Naphthalenedicarboxylic anhydride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl 2,3-naphthalenedicarboxylate13728-34-267 % similar Phthalic anhydride85-44-965 % similar 6,13-Pentacenequinone3029-32-156 % similar 5,5'-Bi-2-benzofuran-1,1',3,3'-tetrone2420-87-356 % similar Naphthalenetetracarboxylic dianhydride81-30-152 % similar 4,5-Difluorophthalic anhydride18959-30-352 % similar 4,5-Dichlorophthalic anhydride942-06-352 % similar 4,4'-Oxydiphthalic anhydride1823-59-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Naphthalenedicarboxylic anhydride5343-99-7 1,8-Naphthalic anhydride81-84-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook