![Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- structure](/static/products/3671/36714-78-0.webp)
Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-
TL;DR: Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- (CAS 36714-78-0) is a chemical compound with molecular formula C10H4F9NO2 and molecular weight 341.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-nitrobenzene
Also Known As: 4-(perfluoro-t-butyl)nitrobenzene, 4-(Nonafluoro-tert-butyl) nitrobenzene, p-Nitro(nonafluor-tert.-butyl)benzol, Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-, 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-nitrobenzene
| Molecular Formula | C10H4F9NO2 |
|---|---|
| Molecular Weight | 341.01 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 1 |
| Exact Mass | 341.00983 |
| Heavy Atoms | 22 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 36714-78-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | PZESBYCRGSCCHN-UHFFFAOYSA-N |
Product Overview
Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- (CAS 36714-78-0), with molecular formula C10H4F9NO2 and molecular weight 341.01 g/mol. IUPAC: 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-nitrobenzene.
Chemical Property Profile of Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-
Property Insights of Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-
The XLogP value of 5.6 indicates that Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-?
The CAS number of Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- is 36714-78-0.
What is the molecular formula of Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-?
The molecular formula of Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- is C10H4F9NO2.
What is the molecular weight of Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-?
The molecular weight of Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- is 341.01 g/mol.
Where can I buy Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-?
You can request a quote for Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-nitro-4-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.