1,3,5-三氯苯
TL;DR: 1,3,5-三氯苯 (CAS 108-70-3) is a chemical compound with molecular formula C6H3Cl3 and molecular weight 179.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-三氯苯
1,3,5-trichlorobenzene
Also Known As: 1,3,5-TRICHLOROBENZENE, s-Trichlorobenzene, sym-Trichlorobenzene, Benzene, 1,3,5-trichloro-, 1,3,5-TRICHLORO-BENZENE
| Molecular Formula | C6H3Cl3 |
|---|---|
| Molecular Weight | 179.93 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.93004 |
| Heavy Atoms | 9 |
| Complexity | 63.0 |
| Melting Point | 145 to 63.9 °C |
| Boiling Point | 208.4 °C at 760 mmHg |
| Density | 1.456 g/cu cm at 20 °C (liquid) |
| Solubility | less than 0.1 mg/mL at 67.1 °F (NTP, 1992) |
| Flash Point | 107.0 °C |
| Vapor Pressure | 10 mmHg at 78.0 °C |
| Refractive Index | 1.5662 at 19 °C |
Chemical Identifiers
| CAS Number | 108-70-3 |
|---|---|
| SMILES | C1=C(C=C(C=C1Cl)Cl)Cl |
| InChIKey | XKEFYDZQGKAQCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-三氯苯 (CAS 108-70-3), with molecular formula C6H3Cl3 and molecular weight 179.93 g/mol. IUPAC: 1,3,5-trichlorobenzene.
Chemical Property Profile of 1,3,5-三氯苯
Property Insights of 1,3,5-三氯苯
The XLogP value of 4.2 indicates that 1,3,5-三氯苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3,5-三氯苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-三氯苯 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 1,3,5-三氯苯?
The CAS number of 1,3,5-三氯苯 is 108-70-3.
What is the molecular formula of 1,3,5-三氯苯?
The molecular formula of 1,3,5-三氯苯 is C6H3Cl3.
What is the molecular weight of 1,3,5-三氯苯?
The molecular weight of 1,3,5-三氯苯 is 179.93 g/mol.
Where can I buy 1,3,5-三氯苯?
You can request a quote for 1,3,5-三氯苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-三氯苯?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-三氯苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.