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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
Names and Synonyms:
Trimellitic Anhydride
5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-
1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride
Trimellitic acid anhydride
1,2,4-Benzenetricarboxylic acid, anhydride
1,3-Dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid
Anhydrotrimellitic acid
1,3-Dioxo-5-phthalancarboxylic acid
Trimellitic acid 1,2-anhydride
Trimellitic anhydride
1,2,4-Benzenetricarboxylic anhydride
Trimellitic acid cyclic 1,2-anhydride
4-Carboxyphthalic anhydride
Epon 9150
1,2,4-Benzenetricarboxylic acid 1,2-anhydride
NSC 60252
Benzene-1,3,4-tricarboxylic anhydride
TMA (anhydride)
TMA
CE-X 23 Medium
Aradur 3380-1
1,3-Dioxo-1,3-dihydroisobenzofuran-5-carboxylic acid
1,3-Dioxo-1,3-dihydro-2-benzofuran-5-carboxylic acid
Identifiers:
SMILES:
O=C(O)c1ccc2c(c1)C(=O)OC2=O
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)
Key Properties
Boiling Point
390 °C
CAS Common Chemistry
Melting Point
161-163.5 °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 | 192.13 g/mol | CAS Common Chemistry |
| 192.12599999999995 g/mol | RDKit | |
| 192.005873228 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 |
| LogP | 0.6954 | RDKit |
| Molar Refractivity | 43.1473 | RDKit |
