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Molecule
Pyromellitic Dianhydride
CAS: 89-32-7 · C10H2O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 89-32-7
- Molecular Formula
- C10H2O6
- Molecular Mass
- 218.12 g/mol
Identifiers
CAS Registry Number
89-32-7
SMILES
O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12
InChI Key
ANSXAPJVJOKRDJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H2O6/c11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h1-2H
Names and Synonyms
- Pyromellitic Dianhydride Synonym
- 1H,3H-Benzo[1,2-c:4,5-c′]difuran-1,3,5,7-tetrone Synonym
- 1,2,4,5-Benzenetetracarboxylic 1,2:4,5-dianhydride Synonym
- Pyromellitic 1,2:4,5-dianhydride Synonym
- Pyromellitic dianhydride Synonym
- Pyromellitic anhydride Synonym
- Pyromellitic acid dianhydride Synonym
- 1,2:4,5-Benzenetetracarboxylic dianhydride Synonym
- Pyromellitic acid anhydride Synonym
- 1,2,4,5-Benzenetetracarboxylic acid dianhydride Synonym
- PMDA Synonym
- 1,2,4,5-Benzenetetracarboxylic acid 1,2:4,5-dianhydride Synonym
- NSC 4798 Synonym
- PMDA-M Synonym
- SY 4 Synonym
- Benzene-1,2,4,5-tetracarboxylic dianhydride Synonym
- 1H,3H-Benzol[1,2-c:4,5-c′]difuran-1,3,5,7-tetrone Synonym
- Benzo[1,2-c:4,5-c′]difuran-1,3,5,7-tetraone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 218.12 g/mol | CAS Common Chemistry |
| 218.11999999999995 g/mol | RDKit | |
| Density | 1.68 g/cm³ | CAS Common Chemistry |
| 1.68 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pyromellitic_dianhydride | CAS Common Chemistry |
| Boiling Point | 397-400 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1OC(=O)C=2C=C3C(=O)OC(=O)C3=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C10H2O6/c11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h1-2H | CAS Common Chemistry |
| InChI Key | InChIKey=ANSXAPJVJOKRDJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 286 °C | CAS Common Chemistry |
| Name | Pyromellitic dianhydride | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 94.56 Ų | RDKit |
| 86.74 Ų | chempirical lib | |
| LogP | -0.5045999999999998 | RDKit |
| -0.5046 | RDKit | |
| Molar Refractivity | 53.438 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 217.985137784 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 218.12 g/mol; density = 1.680 g/mL. Edit any field — others recompute live.
