1,8-Naphthalic anhydride

C12H6O3CAS 81-84-5198.18 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
270 °C
Flash point
272 °C
Water solubility
practically insoluble
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 161 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
81-84-5
SMILES
O=C1OC(=O)c2cccc3cccc1c23
InChIKey
GRSMWKLPSNHDHA-UHFFFAOYSA-N
InChI
InChI=1S/C12H6O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6H

Weigh it out

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

Names and synonyms

11 names
  • 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione
  • Naphthalic anhydride
  • Protect (agrochemical)
  • 1,8-Naphthalenedicarboxylic acid anhydride
  • 1,8-Naphthalic acid anhydride
  • 1,8-Naphthalenedicarboxylic anhydride
  • Protect
  • 1,8-Naphthoic anhydride
  • NSC 5747
  • 1,8-Naphthanoic anhydride
  • Naphthalene-2,6-dicarboxylic acid anhydride

Work with 1,8-Naphthalic 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

3-Hydroxy-1,8-naphthalic anhydride23204-36-666 % similar Naphthalenetetracarboxylic dianhydride81-30-163 % similar Phthalic anhydride85-44-963 % similar Acenaphthoquinone82-86-058 % similar 5-Nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione3027-38-157 % similar 4-Chloro-1,8-naphthalic anhydride4053-08-156 % similar 4-Aminonaphthalene-1,8-dicarboxylic anhydride6492-86-055 % similar 4-Bromo-1,8-naphthalic anhydride81-86-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Naphthalenedicarboxylic anhydride5343-99-7 2,3-Naphthalenedicarboxylic anhydride716-39-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia