Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone
TL;DR: Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone (CAS 360-74-7) is a chemical compound with molecular formula C14H6F6N2O6S and molecular weight 443.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1-[4-nitro-2-(trifluoromethyl)phenyl]sulfonyl-2-(trifluoromethyl)benzene
Also Known As: Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone, Bis(2-trifluoromethyl-4-nitrophenyl) sulfone, 1,1'-sulfonylbis[4-nitro-2-(trifluoromethyl)benzene], 2,2'-Di(trifluoromethyl)-4,4'-dinitrodiphenylsulfone, 4,4'-dinitro-2,2'-bis(trifluoromethyl)diphenyl sulphone
| Molecular Formula | C14H6F6N2O6S |
|---|---|
| Molecular Weight | 443.99 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 443.98508 |
| Heavy Atoms | 29 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 360-74-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F |
| InChIKey | QERKRZJJGJXZMI-UHFFFAOYSA-N |
Product Overview
Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone (CAS 360-74-7), with molecular formula C14H6F6N2O6S and molecular weight 443.99 g/mol. IUPAC: 4-nitro-1-[4-nitro-2-(trifluoromethyl)phenyl]sulfonyl-2-(trifluoromethyl)benzene.
Chemical Property Profile of Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone
Property Insights of Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone
The XLogP value of 4.1 indicates that Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone. Following Lipinski's Rule of Five, Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone 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 Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone?
The CAS number of Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone is 360-74-7.
What is the molecular formula of Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone?
The molecular formula of Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone is C14H6F6N2O6S.
What is the molecular weight of Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone?
The molecular weight of Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone is 443.99 g/mol.
Where can I buy Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone?
You can request a quote for Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone?
Yes, KEHONG BIO provides custom synthesis services for Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.