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Bpda
CAS: 2420-87-3 | C16H6O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2420-87-3
Molecular Formula:
C16H6O6
Molecular Mass:
294.22 g/mol
Names and Synonyms:
Bpda
[5,5′-Biisobenzofuran]-1,1′,3,3′-tetrone
3,3′,4,4′-Biphenyltetracarboxylic 3,4:3′,4′-dianhydride
[1,1′-Biphenyl]-3,3′,4,4′-tetracarboxylic 3,4:3′,4′-dianhydride
4,4′-Biphthalic anhydride
3,3′,4,4′-Biphenyltetracarboxylic dianhydride
3,3′,4,4′-Biphenyltetracarboxylic acid anhydride
3,3′,4,4′-Biphenyltetracarboxylic acid dianhydride
3,3′,4,4′-Biphenyltetracarboxylic anhydride
3,4,3′,4′-Biphenyltetracarboxylic dianhydride
3,4,3′,4′-Biphenyltetracarboxylic acid dianhydride
BPDA
4,4′-Biphthalic dianhydride
B 1326
1,1′-Biphenyl-3,3′,4,4′-tetracarboxylic acid dianhydride
s-BPDA
1,1′-Biphenyl-3,3′,4,4′-tetracarboxylic dianhydride
3,3′,4,4′-Diphenyltetracarboxylic dianhydride
3,3′,4,4′-Biphenyltetracarbocylic dianhydride
3,3′,5,5′-Biphenyltetracarboxylic 3,5:3′,5′-dianhydride
[5,5′]Biisobenzofuranyl-1,3,1′,3′-tetraone
Identifiers:
SMILES:
O=C1OC(=O)c2cc(-c3ccc4c(c3)C(=O)OC4=O)ccc21
InChI:
InChI=1S/C16H6O6/c17-13-9-3-1-7(5-11(9)15(19)21-13)8-2-4-10-12(6-8)16(20)22-14(10)18/h1-6H
Key Properties
Melting Point
267 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 294.22 g/mol | CAS Common Chemistry |
| 294.218 g/mol | RDKit | |
| 294.01643791199996 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/BPDA | CAS Common Chemistry |
| Canonical SMILES | O=C1OC(=O)C2=CC(=CC=C12)C=3C=CC=4C(=O)OC(=O)C4C3 | CAS Common Chemistry |
| InChI | InChI=1S/C16H6O6/c17-13-9-3-1-7(5-11(9)15(19)21-13)8-2-4-10-12(6-8)16(20)22-14(10)18/h1-6H | CAS Common Chemistry |
| InChI Key | InChIKey=WKDNYTOXBCRNPV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 267 °C | CAS Common Chemistry |
| Name | 3,3′,4,4′-Biphenyltetracarboxylic dianhydride | CAS Common Chemistry |
| BPDA | CAS Common Chemistry | |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 86.74000000000001 Ų | RDKit |
| LogP | 1.9748 | RDKit |
| Molar Refractivity | 71.37 | RDKit |
