1,4-Bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene
TL;DR: 1,4-Bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene (CAS 667938-77-4) is a chemical compound with molecular formula C12H4Cl2F12 and molecular weight 445.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene
Also Known As: Not Available, 1,4-Bis(2-Chlorohexafluoroisopropyl)benzene, 1,4-bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene, 1,4-BIS(2-CHLORO-1,1,1,3,3,3-HEXAFLUOROPROPYL)BENZENE, 1,4-Bis[2-chlorohexafluoro-2-propyl]benzene
| Molecular Formula | C12H4Cl2F12 |
|---|---|
| Molecular Weight | 445.95 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 445.94983 |
| Heavy Atoms | 26 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 667938-77-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C(F)(F)F)(C(F)(F)F)Cl)C(C(F)(F)F)(C(F)(F)F)Cl |
| InChIKey | XRHPFOONVSUEOY-UHFFFAOYSA-N |
Product Overview
1,4-Bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene (CAS 667938-77-4), with molecular formula C12H4Cl2F12 and molecular weight 445.95 g/mol. IUPAC: 1,4-bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene.
Chemical Property Profile of 1,4-Bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene
Property Insights of 1,4-Bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene
The XLogP value of 6.9 indicates that 1,4-Bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)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, 1,4-Bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene has 0 hydrogen bond donor(s) and 12 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(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene?
The CAS number of 1,4-Bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene is 667938-77-4.
What is the molecular formula of 1,4-Bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene?
The molecular formula of 1,4-Bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene is C12H4Cl2F12.
What is the molecular weight of 1,4-Bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene?
The molecular weight of 1,4-Bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene is 445.95 g/mol.
Where can I buy 1,4-Bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene?
You can request a quote for 1,4-Bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene 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(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.