3-Chlorophthalic anhydride
TL;DR: 3-Chlorophthalic anhydride (CAS 117-21-5) is a chemical compound with molecular formula C8H3ClO3 and molecular weight 181.97707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2-benzofuran-1,3-dione
Also Known As: 3-Chlorophthalic anhydride, 4-chloroisobenzofuran-1,3-dione, Chlorphthalidone, 3-chlorophthalic acid anhydride, 4-chloro-2-benzofuran-1,3-dione
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H3ClO3 |
| Molecular Weight | 181.97707 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.97707 Da |
| Heavy Atoms | 12 |
| Complexity | 238.0 |
| SMILES | C1=CC2=C(C(=C1)Cl)C(=O)OC2=O |
| InChIKey | UERPUZBSSSAZJE-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chlorophthalic anhydride
Property Insights of 3-Chlorophthalic anhydride
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorophthalic anhydride. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Chlorophthalic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorophthalic anhydride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Chlorophthalic anhydride?
The CAS number of 3-Chlorophthalic anhydride is 117-21-5.
What is the molecular formula of 3-Chlorophthalic anhydride?
The molecular formula of 3-Chlorophthalic anhydride is C8H3ClO3.
What is the molecular weight of 3-Chlorophthalic anhydride?
The molecular weight of 3-Chlorophthalic anhydride is 181.97707 g/mol.
Where can I buy 3-Chlorophthalic anhydride?
You can request a quote for 3-Chlorophthalic anhydride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chlorophthalic anhydride?
Yes, CoreyChem provides custom synthesis services for 3-Chlorophthalic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.