2,3′,3,4′-Biphenyltetracarboxylic dianhydride

C16H6O6CAS 36978-41-3294.22 g/mol

Open in Covalent MOL file
OOOOOO
Acid anhydride

Properties

Molecular formula
C16H6O6
Molar mass
294.22 g/mol
Exact mass
294.0164 Da
Melting point
199 °C
logP
1.97Crippen estimate
Polar surface area
86.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
1

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
36978-41-3
SMILES
O=C1OC(=O)c2cc(-c3cccc4c3C(=O)OC4=O)ccc21
InChIKey
FYYYKXFEKMGYLZ-UHFFFAOYSA-N
InChI
InChI=1S/C16H6O6/c17-13-9-5-4-7(6-11(9)15(19)21-13)8-2-1-3-10-12(8)16(20)22-14(10)18/h1-6H

Weigh it out

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

Names and synonyms

12 names
  • [4,5′-Biisobenzofuran]-1,1′,3,3′-tetrone
  • 2,3,3′,4′-Biphenyltetracarboxylic dianhydride
  • 2,3,3′,4′-Biphenyltetracarboxylic acid dianhydride
  • 1,1′-Biphenyl-2,3,3′,4′-tetracarboxylic acid dianhydride
  • 2,3,3′,4′-Biphenyltetracarboxylic anhydride
  • 2,3′,3,4′-Biphenyltetracarboxylic acid dianhydride
  • 4,3′-Biphthalic anhydride
  • 2,3,3′,4′-Diphenyltetracarboxylic dianhydride
  • [4,5′-Biisobenzofuran]-1,1′,3,3′-tetraone
  • 2,3,3′,4′-Biphenyltetracarbocylic dianhydride
  • a-BPDA
  • [4,5'-Biisobenzofuran]-1,1',3,3'-tetrone

Work with 2,3′,3,4′-Biphenyltetracarboxylic 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

3,4'-Oxydiphthalic anhydride50662-95-856 % similar 3-Chlorophthalic anhydride117-21-556 % similar 3-Iodophthalic anhydride28418-88-450 % similar 3-Hydroxyphthalic anhydride37418-88-550 % similar 3-Methylphthalic anhydride4792-30-750 % similar 3-Fluorophthalic anhydride652-39-150 % similar Phthalic anhydride85-44-950 % similar 4-Chlorophthalic anhydride118-45-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5,5'-Bi-2-benzofuran-1,1',3,3'-tetrone2420-87-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook