Trimellitic anhydride
Properties
- Molecular formula
- C9H4O5
- Molar mass
- 192.13 g/mol
- Exact mass
- 192.0059 Da
- Density
- 1.55 g/mL (at 20 °C)
- Melting point
- 161–163.5 °C
- Boiling point
- 390 °C
- Flash point
- 227 °C (open cup)
- Water solubility
- < 1 g/L (20 °C)
- logP
- 0.70Crippen estimate
- Polar surface area
- 80.7 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 1
Hazards
Danger
- H317 May cause an allergic skin reactionSensitization, Skin
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaledSensitization, respiratory
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
Harmonised EU classification (CLP Annex VI, index 607-097-00-4), via PubChem.
Precautionary statements
P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
552-30-7SMILES
O=C(O)c1ccc2c(c1)C(=O)OC2=OInChIKey
SRPWOOOHEPICQU-UHFFFAOYSA-NInChI
InChI=1S/C9H4O5/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
21 names · show all
- 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
- 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
Work with Trimellitic anhydride
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
4,4'-Carbonyldiphthalic anhydride2421-28-565 % similar
Trimellitic acid528-44-963 % similar
Trimellitic anhydride chloride1204-28-059 % similar
Ethylene bis[1,3-dihydro-1,3-dioxoisobenzofuran-5-carboxylate]1732-96-359 % similar
1,3-Dihydro-1-oxoisobenzofuran-5-carboxylic acid4792-29-457 % similar
4,4'-Oxydiphthalic anhydride1823-59-256 % similar
5,5'-Bi-2-benzofuran-1,1',3,3'-tetrone2420-87-355 % similar
4,4'-(1,4-Phenylenedioxy)bisphthalic Anhydride17828-53-455 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.