1-Nitro-4-trifluoromethanesulfonylbenzene
TL;DR: 1-Nitro-4-trifluoromethanesulfonylbenzene (CAS 432-87-1) is a chemical compound with molecular formula C7H4F3NO4S and molecular weight 254.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-(trifluoromethylsulfonyl)benzene
Also Known As: 1-nitro-4-trifluoromethanesulfonylbenzene, 1-Nitro-4-[(trifluoromethyl)sulfonyl]benzene, 4- NITROBENZENE, 1-nitro-4-(trifluoromethylsulfonyl)benzene, 4-(TRIFLUOROMETHYLSULFONYL)NITROBENZENE
| Molecular Formula | C7H4F3NO4S |
|---|---|
| Molecular Weight | 254.98 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.98131 |
| Heavy Atoms | 16 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 432-87-1 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C(F)(F)F |
| InChIKey | XCDAHECADGUHPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-4-trifluoromethanesulfonylbenzene (CAS 432-87-1), with molecular formula C7H4F3NO4S and molecular weight 254.98 g/mol. IUPAC: 1-nitro-4-(trifluoromethylsulfonyl)benzene.
Chemical Property Profile of 1-Nitro-4-trifluoromethanesulfonylbenzene
Property Insights of 1-Nitro-4-trifluoromethanesulfonylbenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-4-trifluoromethanesulfonylbenzene. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-4-trifluoromethanesulfonylbenzene. Following Lipinski's Rule of Five, 1-Nitro-4-trifluoromethanesulfonylbenzene has 0 hydrogen bond donor(s) and 7 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 1-Nitro-4-trifluoromethanesulfonylbenzene?
The CAS number of 1-Nitro-4-trifluoromethanesulfonylbenzene is 432-87-1.
What is the molecular formula of 1-Nitro-4-trifluoromethanesulfonylbenzene?
The molecular formula of 1-Nitro-4-trifluoromethanesulfonylbenzene is C7H4F3NO4S.
What is the molecular weight of 1-Nitro-4-trifluoromethanesulfonylbenzene?
The molecular weight of 1-Nitro-4-trifluoromethanesulfonylbenzene is 254.98 g/mol.
Where can I buy 1-Nitro-4-trifluoromethanesulfonylbenzene?
You can request a quote for 1-Nitro-4-trifluoromethanesulfonylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-4-trifluoromethanesulfonylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-trifluoromethanesulfonylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.