1,4-Bis(trichloromethyl)-2-chlorobenzene
TL;DR: 1,4-Bis(trichloromethyl)-2-chlorobenzene (CAS 104029-64-3) is a chemical compound with molecular formula C8H3Cl7 and molecular weight 343.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,4-bis(trichloromethyl)benzene
Also Known As: 2-chloro-1,4-bis(trichloromethyl)benzene, 1,4-bis(trichloromethyl)-2-chlorobenzene, 2-Chlor-1,4-bis-trichlormethyl-benzol, A,, A,
| Molecular Formula | C8H3Cl7 |
|---|---|
| Molecular Weight | 343.81 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 343.80545 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 104029-64-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(Cl)(Cl)Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | URRUNMMSCQPLOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Bis(trichloromethyl)-2-chlorobenzene (CAS 104029-64-3), with molecular formula C8H3Cl7 and molecular weight 343.81 g/mol. IUPAC: 2-chloro-1,4-bis(trichloromethyl)benzene.
Chemical Property Profile of 1,4-Bis(trichloromethyl)-2-chlorobenzene
Property Insights of 1,4-Bis(trichloromethyl)-2-chlorobenzene
The XLogP value of 5.8 indicates that 1,4-Bis(trichloromethyl)-2-chlorobenzene 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-Bis(trichloromethyl)-2-chlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(trichloromethyl)-2-chlorobenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Bis(trichloromethyl)-2-chlorobenzene?
The CAS number of 1,4-Bis(trichloromethyl)-2-chlorobenzene is 104029-64-3.
What is the molecular formula of 1,4-Bis(trichloromethyl)-2-chlorobenzene?
The molecular formula of 1,4-Bis(trichloromethyl)-2-chlorobenzene is C8H3Cl7.
What is the molecular weight of 1,4-Bis(trichloromethyl)-2-chlorobenzene?
The molecular weight of 1,4-Bis(trichloromethyl)-2-chlorobenzene is 343.81 g/mol.
Where can I buy 1,4-Bis(trichloromethyl)-2-chlorobenzene?
You can request a quote for 1,4-Bis(trichloromethyl)-2-chlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(trichloromethyl)-2-chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(trichloromethyl)-2-chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.