Trimellitic anhydride
TL;DR: Trimellitic anhydride (CAS 552-30-7) is a chemical compound with molecular formula C9H4O5 and molecular weight 192.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxo-2-benzofuran-5-carboxylic acid
Also Known As: TRIMELLITIC ANHYDRIDE, Anhydrotrimellic acid, Anhydrotrimellitic acid, TMAN, 1,2,4-Benzenetricarboxylic anhydride
| Molecular Formula | C9H4O5 |
|---|---|
| Molecular Weight | 192.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.00587 |
| Heavy Atoms | 14 |
| Complexity | 308.0 |
| Melting Point | 329 to 168.9 °C |
| Boiling Point | 464 to 245.0 °C at 14 mmHg |
| Density | 1.55 at 20.0 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 227.0 °C |
| Vapor Pressure | 4e-06 mmHg at 25.0 °C |
Chemical Identifiers
| CAS Number | 552-30-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O |
| InChIKey | SRPWOOOHEPICQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimellitic anhydride (CAS 552-30-7), with molecular formula C9H4O5 and molecular weight 192.01 g/mol. IUPAC: 1,3-dioxo-2-benzofuran-5-carboxylic acid.
Chemical Property Profile of Trimellitic anhydride
Property Insights of Trimellitic anhydride
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimellitic anhydride. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimellitic anhydride. Following Lipinski's Rule of Five, Trimellitic anhydride has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trimellitic anhydride?
The CAS number of Trimellitic anhydride is 552-30-7.
What is the molecular formula of Trimellitic anhydride?
The molecular formula of Trimellitic anhydride is C9H4O5.
What is the molecular weight of Trimellitic anhydride?
The molecular weight of Trimellitic anhydride is 192.01 g/mol.
Where can I buy Trimellitic anhydride?
You can request a quote for Trimellitic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimellitic anhydride?
Yes, KEHONG BIO provides custom synthesis services for Trimellitic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.