间苯二甲酰氯
TL;DR: 间苯二甲酰氯 (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.
间苯二甲酰氯
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
间苯二甲酰氯 (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 间苯二甲酰氯
Property Insights of 间苯二甲酰氯
The XLogP value of 3.6 indicates that 间苯二甲酰氯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 间苯二甲酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间苯二甲酰氯 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 间苯二甲酰氯?
The CAS number of 间苯二甲酰氯 is 99-63-8.
What is the molecular formula of 间苯二甲酰氯?
The molecular formula of 间苯二甲酰氯 is C8H4Cl2O2.
What is the molecular weight of 间苯二甲酰氯?
The molecular weight of 间苯二甲酰氯 is 201.96 g/mol.
Where can I buy 间苯二甲酰氯?
You can request a quote for 间苯二甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间苯二甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 间苯二甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.