1,3-Bis(trichloromethyl)benzene
TL;DR: 1,3-Bis(trichloromethyl)benzene (CAS 881-99-2) 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.
1,3-bis(trichloromethyl)benzene
Also Known As: 1,3-Bis(trichloromethyl)benzene, Hexachlorometaxylol, 2-Butanol, Benzene, 1,3-bis(trichloromethyl)-, m-Xylene hexachloride
| Molecular Formula | C8H4Cl6 |
|---|---|
| Molecular Weight | 309.84 g/mol |
| LogP | 5.3 |
| 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 | 171.0 |
Chemical Identifiers
| CAS Number | 881-99-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | GGZIUXGYCNYNNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(trichloromethyl)benzene (CAS 881-99-2), with molecular formula C8H4Cl6 and molecular weight 309.84 g/mol. IUPAC: 1,3-bis(trichloromethyl)benzene.
Chemical Property Profile of 1,3-Bis(trichloromethyl)benzene
Property Insights of 1,3-Bis(trichloromethyl)benzene
The XLogP value of 5.3 indicates that 1,3-Bis(trichloromethyl)benzene 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-Bis(trichloromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(trichloromethyl)benzene 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 1,3-Bis(trichloromethyl)benzene?
The CAS number of 1,3-Bis(trichloromethyl)benzene is 881-99-2.
What is the molecular formula of 1,3-Bis(trichloromethyl)benzene?
The molecular formula of 1,3-Bis(trichloromethyl)benzene is C8H4Cl6.
What is the molecular weight of 1,3-Bis(trichloromethyl)benzene?
The molecular weight of 1,3-Bis(trichloromethyl)benzene is 309.84 g/mol.
Where can I buy 1,3-Bis(trichloromethyl)benzene?
You can request a quote for 1,3-Bis(trichloromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(trichloromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(trichloromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.