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Molecule
Phthalic Anhydride
CAS: 85-44-9 · C8H4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 85-44-9
- Molecular Formula
- C8H4O3
- Molecular Mass
- 148.12 g/mol
Identifiers
CAS Registry Number
85-44-9
SMILES
O=C1OC(=O)c2ccccc21
InChI Key
LGRFSURHDFAFJT-UHFFFAOYSA-N
InChI
InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
Names and Synonyms
- Phthalic Anhydride Common Name
- 1,3-Isobenzofurandione Synonym
- Phthalic anhydride Synonym
- ESEN Synonym
- Phthalandione Synonym
- 1,3-Phthalandione Synonym
- Phthalic acid anhydride Synonym
- Retarder AK Synonym
- Retarder ESEN Synonym
- Retarder PD Synonym
- 1,2-Benzenedicarboxylic anhydride Synonym
- Vulkalent B/C Synonym
- TGL 6525 Synonym
- Araldite HT 901 Synonym
- HT 901 Synonym
- Phthalanhydride Synonym
- Sconoc 7 Synonym
- Retarder B-C Synonym
- NSC 10431 Synonym
- Sconoc 5 Synonym
- 2-Benzofuran-1,3-dione Synonym
- Rikacid PA Synonym
- OP 392 Synonym
- ADP 1200 Synonym
- 1,3-Dihydro-2-benzofuran-1,3-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.12 g/mol | CAS Common Chemistry |
| 148.11699999999996 g/mol | RDKit | |
| 148.117 g/mol | RDKit | |
| Density | 1.53 g/cm³ | CAS Common Chemistry |
| 1.53 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phthalic_anhydride | CAS Common Chemistry |
| Boiling Point | 295 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1OC(=O)C=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H | CAS Common Chemistry |
| InChI Key | InChIKey=LGRFSURHDFAFJT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 130.8 °C | CAS Common Chemistry |
| Name | Phthalic anhydride | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| 43.37 Ų | RDKit | |
| LogP | 0.9972 | RDKit |
| Molar Refractivity | 36.18800000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 148.01604398799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 148.12 g/mol; density = 1.530 g/mL. Edit any field — others recompute live.
