Isophthalic Acid
TL;DR: Isophthalic Acid (CAS 121-91-5) is a chemical compound with molecular formula C8H6O4 and molecular weight 166.02661 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzene-1,3-dicarboxylic acid
Also Known As: ISOPHTHALIC ACID, Benzene-1,3-dicarboxylic acid, m-Phthalic acid, Isophthalate, 1,3-Benzenedicarboxylic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6O4 |
| Molecular Weight | 166.02661 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.02661 Da |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
| Melting Point | 653 °F (USCG, 1999) |
| Boiling Point | Sublimes |
| Density | 1.54 at 77 °F (USCG, 1999) - Denser than water; will sink |
| Vapor Pressure | 0.00000002 [mmHg] |
| Solubility | Soluble in 8000 parts cold water, 460 parts boiling water; freely soluble in alcohol; practically insoluble in petroleum ether |
| SMILES | C1=CC(=CC(=C1)C(=O)O)C(=O)O |
| InChIKey | QQVIHTHCMHWDBS-UHFFFAOYSA-N |
Product Description
Applications: Isophthalic Acid is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isophthalic Acid (CAS 121-91-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Isophthalic Acid (CAS 121-91-5) is a polymer intermediate with the molecular formula C8H6O4 and a molecular weight of 166.03 g/mol. Key physical properties include a density of 1.54 at 77 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: Soluble in 8000 parts cold water, 460 parts boiling water; freely soluble in alcohol; practically insoluble in petroleum ether. It is also known as ISOPHTHALIC ACID and Benzene-1,3-dicarboxylic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Isophthalic Acid
Property Insights of Isophthalic Acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isophthalic Acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Isophthalic Acid. Following Lipinski's Rule of Five, Isophthalic Acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isophthalic Acid?
The CAS number of Isophthalic Acid is 121-91-5.
What is the molecular formula of Isophthalic Acid?
The molecular formula of Isophthalic Acid is C8H6O4.
What is the molecular weight of Isophthalic Acid?
The molecular weight of Isophthalic Acid is 166.02661 g/mol.
What are the applications of Isophthalic Acid?
Isophthalic Acid is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isophthalic Acid (CAS 121-91-5) with custom synthesis available from...
Where can I buy Isophthalic Acid?
You can request a quote for Isophthalic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isophthalic Acid?
Yes, CoreyChem provides custom synthesis services for Isophthalic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.