Naphthalenetetracarboxylic dianhydride

C14H4O6CAS 81-30-1268.18 g/mol

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Acid anhydride

Properties

Molecular formula
C14H4O6
Molar mass
268.18 g/mol
Exact mass
268.0008 Da
Melting point
450 °C
logP
1.46Crippen estimate
Polar surface area
86.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
81-30-1
SMILES
O=C1OC(=O)c2ccc3c4c(ccc1c24)C(=O)OC3=O
InChIKey
YTVNOVQHSGMMOV-UHFFFAOYSA-N
InChI
InChI=1S/C14H4O6/c15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11/h1-4H

Weigh it out

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

Names and synonyms

14 names · show all
  • [2]Benzopyrano[6,5,4-def][2]benzopyran-1,3,6,8-tetrone
  • 1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5-dianhydride
  • 2,7-Dioxapyrene-1,3,6,8-tetrone
  • 1,4,5,8-Naphthalenetetracarboxylic acid dianhydride
  • 1,8:4,5-Naphthalenetetracarboxylic dianhydride
  • 1,4,5,8-Naphthalenetetracarboxylic dianhydride
  • NTCDA
  • Naphthalic 1,8:4,5-dianhydride
  • NSC 84241
  • Naphthalenetetracarboxylic anhydride
  • 1,4,5,8-Tetracarboxynaphthalene dianhydride
  • 1,4,5,8-Naphthalenetetracarboxylic acid-1,8:4,5-dianhydride
  • Naphthalene-4,5,8,9-tetracarboxylic dianhydride
  • 1,4,5,8-Naphthalic dianhydride

Work with Naphthalenetetracarboxylic dianhydride

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

Perylenetetracarboxylic dianhydride128-69-881 % similar 1,8-Naphthalic anhydride81-84-563 % similar Phthalic anhydride85-44-962 % similar 5,5'-Bi-2-benzofuran-1,1',3,3'-tetrone2420-87-358 % similar 4-Chloro-1,8-naphthalic anhydride4053-08-155 % similar 4,4'-Oxydiphthalic anhydride1823-59-254 % similar 4-Aminonaphthalene-1,8-dicarboxylic anhydride6492-86-053 % similar 4-Bromo-1,8-naphthalic anhydride81-86-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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