4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole
TL;DR: 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole (CAS 1029636-59-6) is a chemical compound with molecular formula C17H6F17N3O2 and molecular weight 607.01886 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-nitro-3-phenyl-1H-pyrazole
Also Known As: 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole, 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-nitro-5-phenyl-2H-pyrazole, 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-nitro-3-phenyl-1H-pyrazole
Technical Specifications
| Molecular Formula | C17H6F17N3O2 |
| Molecular Weight | 607.01886 g/mol |
| XLogP | 7.3 |
| Topological Polar Surface Area (TPSA) | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 8 |
| Exact Mass | 607.01886 Da |
| Heavy Atoms | 39 |
| Complexity | 911.0 |
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2[N+](=O)[O-])C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | XTOBJHWLZCBMLW-UHFFFAOYSA-N |
Product Description
Applications: 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole (CAS 1029636-59-6) is a fine chemical with the molecular formula C17H6F17N3O2 and a molecular weight of 607.02 g/mol. Synonyms include 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole and 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-nitro-5-phenyl-2H-pyrazole.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole
Property Insights of 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole
The XLogP value of 7.3 indicates that 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole. Following Lipinski's Rule of Five, 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole has 1 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole?
The CAS number of 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole is 1029636-59-6.
What is the molecular formula of 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole?
The molecular formula of 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole is C17H6F17N3O2.
What is the molecular weight of 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole?
The molecular weight of 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole is 607.01886 g/mol.
What are the applications of 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole?
4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical...
Where can I buy 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole?
You can request a quote for 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole?
Yes, CoreyChem provides custom synthesis services for 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.