Isophthaloyl chloride
TL;DR: Isophthaloyl chloride (CAS 99-63-8) is a chemical compound with molecular formula C8H4Cl2O2 and molecular weight 201.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarbonyl chloride
Also Known As: Isophthaloyl chloride, Isophthaloyl dichloride, m-Phthaloyl chloride, Isophthalic chloride, m-Phthalic dichloride
| Molecular Formula | C8H4Cl2O2 |
|---|---|
| Molecular Weight | 201.96 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.95883 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
| Melting Point | 43-44 °C |
| Boiling Point | 276 °C |
| Density | 1.3880 @ 17 °C |
| Solubility | SOL IN ETHER & OTHER ORG SOLVENTS |
| Flash Point | 180.0 °C OC |
| Refractive Index | 1.570 @ 47 °C |
Chemical Identifiers
| CAS Number | 99-63-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)Cl)C(=O)Cl |
| InChIKey | FDQSRULYDNDXQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isophthaloyl chloride (CAS 99-63-8), with molecular formula C8H4Cl2O2 and molecular weight 201.96 g/mol. IUPAC: benzene-1,3-dicarbonyl chloride.
Chemical Property Profile of Isophthaloyl chloride
Property Insights of Isophthaloyl chloride
The XLogP value of 3.6 indicates that Isophthaloyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Isophthaloyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isophthaloyl chloride has 0 hydrogen bond donor(s) and 2 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 Isophthaloyl chloride?
The CAS number of Isophthaloyl chloride is 99-63-8.
What is the molecular formula of Isophthaloyl chloride?
The molecular formula of Isophthaloyl chloride is C8H4Cl2O2.
What is the molecular weight of Isophthaloyl chloride?
The molecular weight of Isophthaloyl chloride is 201.96 g/mol.
Where can I buy Isophthaloyl chloride?
You can request a quote for Isophthaloyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isophthaloyl chloride?
Yes, KEHONG BIO provides custom synthesis services for Isophthaloyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.