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Molecule
Trimellitic Anhydride
CAS: 552-30-7 · C9H4O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 552-30-7
- Molecular Formula
- C9H4O5
- Molecular Mass
- 192.13 g/mol
Identifiers
CAS Registry Number
552-30-7
SMILES
O=C(O)c1ccc2c(c1)C(=O)OC2=O
InChI Key
SRPWOOOHEPICQU-UHFFFAOYSA-N
InChI
InChI=1S/C9H4O5/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H,(H,10,11)
Names and Synonyms
- Trimellitic Anhydride Common Name
- 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo- Synonym
- 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride Synonym
- Trimellitic acid anhydride Synonym
- 1,2,4-Benzenetricarboxylic acid, anhydride Synonym
- 1,3-Dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid Synonym
- Anhydrotrimellitic acid Synonym
- 1,3-Dioxo-5-phthalancarboxylic acid Synonym
- Trimellitic acid 1,2-anhydride Synonym
- Trimellitic anhydride Synonym
- 1,2,4-Benzenetricarboxylic anhydride Synonym
- Trimellitic acid cyclic 1,2-anhydride Synonym
- 4-Carboxyphthalic anhydride Synonym
- Epon 9150 Synonym
- 1,2,4-Benzenetricarboxylic acid 1,2-anhydride Synonym
- NSC 60252 Synonym
- Benzene-1,3,4-tricarboxylic anhydride Synonym
- TMA (anhydride) Synonym
- TMA Synonym
- CE-X 23 Medium Synonym
- Aradur 3380-1 Synonym
- 1,3-Dioxo-1,3-dihydroisobenzofuran-5-carboxylic acid Synonym
- 1,3-Dioxo-1,3-dihydro-2-benzofuran-5-carboxylic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 192.13 g/mol | CAS Common Chemistry |
| 192.12599999999995 g/mol | RDKit | |
| 192.126 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimellitic_anhydride | CAS Common Chemistry |
| Boiling Point | 390 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C1=CC=C2C(=O)OC(=O)C2=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H4O5/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=SRPWOOOHEPICQU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 161-163.5 °C | CAS Common Chemistry |
| Name | Trimellitic anhydride | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 80.66999999999999 Ų | RDKit |
| 80.67 Ų | RDKit | |
| LogP | 0.6954 | RDKit |
| Molar Refractivity | 43.1473 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 192.005873228 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.
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MW = 192.13 g/mol. Edit any field — others recompute live.
