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Trimellitic Anhydride

CAT: 0572-TRC-T795865-250GSize: 250 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T795865-250GSize:250 g
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CAS Number
552-30-7
Synonyms
5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-; 1,2,4-Benzenetricarboxylic acid, anhydride (7CI); 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride (8CI); Trimellitic acid anhydride (6CI); 1,3-Dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid; 1,2,4-Benzenetricarboxylic acid 1,2-anhydride; 1,2,4-Benzenetricarboxylic anhydride; 1,3-Dioxo-1,3-dihydro-2-benzofuran-5-carboxylic acid; 1,3-Dioxo-1,3-dihydroisobenzofuran-5-carboxylic acid; 1,3-Dioxo-5-phthalancarboxylic acid; 4-Carboxyphthalic anhydride; Anhydrotrimellitic acid; Aradur 3380-1; Benzene-1,3,4-tricarboxylic anhydride; CE-X 23 Medium; Epon 9150; NSC 60252; TMA; TMA (anhydride); Trimellitic acid cyclic 1,2-anhydride; Trimellitic anhydride
Hazard Statement
Causes serious eye damage
Smiles
OC(=O)c1ccc2C(=O)OC(=O)c2c1
Molecular Formula
C9 H4 O5
Molecular Weight
192.125
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)
Additionnal Information
IUPAC name: 1,3-dioxoisobenzofuran-5-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Trimellitic anhydride

Trimellitic anhydride is a 2-benzofuran compound having oxo groups at the 1- and 3-positions and a carboxy substituent at the 5-position; the cyclic anhydride formed from the carboxy groups at the 1- and 2-positions of trimellitic acid. It has a role as an allergen, an epitope and a hapten. It is a dioxo monocarboxylic acid, a cyclic dicarboxylic anhydride and a member of 2-benzofurans. It is functionally related to a trimellitic acid and a phthalic anhydride.

CAS Number552-30-7
PubChem CID11089
IUPAC Name1,3-dioxo-2-benzofuran-5-carboxylic acid
Molecular FormulaC9H4O5
Molecular Weight192.12
XLogP0.8
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity308
SMILES
C1=CC2=C(C=C1C(=O)O)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)
InChIKey
SRPWOOOHEPICQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trimellitic anhydride
CAS: 552-30-7
CID: 11089
Formula: C9H4O5
MW: 192.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.12
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass192.00587322
Monoisotopic Mass192.00587322
Topological Polar Surface Area80.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity308
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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