2-Chloro-1,4-bis(trifluoromethyl)benzene
TL;DR: 2-Chloro-1,4-bis(trifluoromethyl)benzene (CAS 328-91-6) is a chemical compound with molecular formula C8H3ClF6 and molecular weight 247.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,4-bis(trifluoromethyl)benzene
Also Known As: 2-Chloro-1,4-bis(trifluoromethyl)benzene, 2,5-Bis(trifluoromethyl)chlorobenzene, 2,5-DITRIFLUOROMETHYL-CHLOROBENZENE, 1,4-bis(trifluoromethyl)-2-chlorobenzene, 1-chloro-2,5-bis(trifluoromethyl)benzene
| Molecular Formula | C8H3ClF6 |
|---|---|
| Molecular Weight | 247.98 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.98274 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 328-91-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Cl)C(F)(F)F |
| InChIKey | IDNVTCBYGYOPKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-1,4-bis(trifluoromethyl)benzene (CAS 328-91-6), with molecular formula C8H3ClF6 and molecular weight 247.98 g/mol. IUPAC: 2-chloro-1,4-bis(trifluoromethyl)benzene.
Chemical Property Profile of 2-Chloro-1,4-bis(trifluoromethyl)benzene
Property Insights of 2-Chloro-1,4-bis(trifluoromethyl)benzene
The XLogP value of 4.3 indicates that 2-Chloro-1,4-bis(trifluoromethyl)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, 2-Chloro-1,4-bis(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1,4-bis(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 6 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 2-Chloro-1,4-bis(trifluoromethyl)benzene?
The CAS number of 2-Chloro-1,4-bis(trifluoromethyl)benzene is 328-91-6.
What is the molecular formula of 2-Chloro-1,4-bis(trifluoromethyl)benzene?
The molecular formula of 2-Chloro-1,4-bis(trifluoromethyl)benzene is C8H3ClF6.
What is the molecular weight of 2-Chloro-1,4-bis(trifluoromethyl)benzene?
The molecular weight of 2-Chloro-1,4-bis(trifluoromethyl)benzene is 247.98 g/mol.
Where can I buy 2-Chloro-1,4-bis(trifluoromethyl)benzene?
You can request a quote for 2-Chloro-1,4-bis(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1,4-bis(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1,4-bis(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.