1,3-二氯苯
TL;DR: 1,3-二氯苯 (CAS 541-73-1) is a chemical compound with molecular formula C6H4Cl2 and molecular weight 145.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-二氯苯
1,3-dichlorobenzene
Also Known As: 1,3-DICHLOROBENZENE, m-Dichlorobenzene, m-Dichlorobenzol, meta-Dichlorobenzene, Metadichlorobenzene
| Molecular Formula | C6H4Cl2 |
|---|---|
| Molecular Weight | 145.97 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.96901 |
| Heavy Atoms | 8 |
| Complexity | 64.0 |
| Melting Point | -24.8 °C |
| Boiling Point | 172.8 °C at 760 mmHg |
| Density | 1.2884 at 20.0 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 63.3 °C |
| Vapor Pressure | 1 mmHg at 12.1 °C ; 5 mmHg at 38.9 °C; 40 mmHg at 82.2 °C |
| Refractive Index | 1.5515 at 20 °C |
Chemical Identifiers
| CAS Number | 541-73-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)Cl |
| InChIKey | ZPQOPVIELGIULI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-二氯苯 (CAS 541-73-1), with molecular formula C6H4Cl2 and molecular weight 145.97 g/mol. IUPAC: 1,3-dichlorobenzene.
Chemical Property Profile of 1,3-二氯苯
Property Insights of 1,3-二氯苯
The XLogP value of 3.5 indicates that 1,3-二氯苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-二氯苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-二氯苯 has 0 hydrogen bond donor(s) and 0 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 1,3-二氯苯?
The CAS number of 1,3-二氯苯 is 541-73-1.
What is the molecular formula of 1,3-二氯苯?
The molecular formula of 1,3-二氯苯 is C6H4Cl2.
What is the molecular weight of 1,3-二氯苯?
The molecular weight of 1,3-二氯苯 is 145.97 g/mol.
Where can I buy 1,3-二氯苯?
You can request a quote for 1,3-二氯苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-二氯苯?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二氯苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.