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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
Names and Synonyms:
Phthalic Anhydride
1,3-Isobenzofurandione
Phthalic anhydride
ESEN
Phthalandione
1,3-Phthalandione
Phthalic acid anhydride
Retarder AK
Retarder ESEN
Retarder PD
1,2-Benzenedicarboxylic anhydride
Vulkalent B/C
TGL 6525
Araldite HT 901
HT 901
Phthalanhydride
Sconoc 7
Retarder B-C
NSC 10431
Sconoc 5
2-Benzofuran-1,3-dione
Rikacid PA
OP 392
ADP 1200
1,3-Dihydro-2-benzofuran-1,3-dione
Identifiers:
SMILES:
O=C1OC(=O)c2ccccc21
InChI:
InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
Key Properties
Boiling Point
295 °C
CAS Common Chemistry
Melting Point
130.8 °C
CAS Common Chemistry
Density
1.53 g/cm³
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 | 148.12 g/mol | CAS Common Chemistry |
| 148.11699999999996 g/mol | RDKit | |
| 148.01604398799998 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 |
| LogP | 0.9972 | RDKit |
| Molar Refractivity | 36.18800000000001 | RDKit |
