Back to Search
Molecule
Tetrafluorophthalic Anhydride
CAS: 652-12-0 · C8F4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 652-12-0
- Molecular Formula
- C8F4O3
- Molecular Mass
- 220.08 g/mol
Identifiers
CAS Registry Number
652-12-0
SMILES
O=C1OC(=O)c2c(F)c(F)c(F)c(F)c21
InChI Key
BJDDKZDZTHIIJB-UHFFFAOYSA-N
InChI
InChI=1S/C8F4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
Names and Synonyms
- Tetrafluorophthalic Anhydride Synonym
- 1,3-Isobenzofurandione, 4,5,6,7-tetrafluoro- Synonym
- Phthalic anhydride, tetrafluoro- Synonym
- 4,5,6,7-Tetrafluoro-1,3-isobenzofurandione Synonym
- Tetrafluorophthalic anhydride Synonym
- 3,4,5,6-Tetrafluorophthalic anhydride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 220.08 g/mol | CAS Common Chemistry |
| 220.07699999999994 g/mol | RDKit | |
| 220.077 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(=O)C=2C(F)=C(F)C(F)=C(F)C12 | CAS Common Chemistry |
| InChI | InChI=1S/C8F4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11 | CAS Common Chemistry |
| InChI Key | InChIKey=BJDDKZDZTHIIJB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 95 °C | CAS Common Chemistry |
| Name | Tetrafluorophthalic anhydride | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 1.5536000000000003 | RDKit |
| 1.5536 | RDKit | |
| 1.49 | chempirical lib | |
| Molar Refractivity | 36.02 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 219.97835673999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 220.08 g/mol. Edit any field — others recompute live.
