1,4-二(三氯甲基)苯
TL;DR: 1,4-二(三氯甲基)苯 (CAS 68-36-0) is a chemical compound with molecular formula C8H4Cl6 and molecular weight 309.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-二(三氯甲基)苯
1,4-bis(trichloromethyl)benzene
Also Known As: 1,4-BIS(TRICHLOROMETHYL)BENZENE, Bitriben, Chloksil, Hexichol, Chloxil
| Molecular Formula | C8H4Cl6 |
|---|---|
| Molecular Weight | 309.84 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 311.84146 |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
| Melting Point | 108-110 °C |
| Vapor Pressure | 0.00102 [mmHg] |
Chemical Identifiers
| CAS Number | 68-36-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | OTEKOJQFKOIXMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-二(三氯甲基)苯 (CAS 68-36-0), with molecular formula C8H4Cl6 and molecular weight 309.84 g/mol. IUPAC: 1,4-bis(trichloromethyl)benzene.
Chemical Property Profile of 1,4-二(三氯甲基)苯
Property Insights of 1,4-二(三氯甲基)苯
The XLogP value of 4.6 indicates that 1,4-二(三氯甲基)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, 1,4-二(三氯甲基)苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-二(三氯甲基)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 1,4-二(三氯甲基)苯?
The CAS number of 1,4-二(三氯甲基)苯 is 68-36-0.
What is the molecular formula of 1,4-二(三氯甲基)苯?
The molecular formula of 1,4-二(三氯甲基)苯 is C8H4Cl6.
What is the molecular weight of 1,4-二(三氯甲基)苯?
The molecular weight of 1,4-二(三氯甲基)苯 is 309.84 g/mol.
Where can I buy 1,4-二(三氯甲基)苯?
You can request a quote for 1,4-二(三氯甲基)苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-二(三氯甲基)苯?
Yes, KEHONG BIO provides custom synthesis services for 1,4-二(三氯甲基)苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.