4-Nitro-1,2-bis(trifluoromethyl)benzene
TL;DR: 4-Nitro-1,2-bis(trifluoromethyl)benzene (CAS 1978-20-7) is a chemical compound with molecular formula C8H3F6NO2 and molecular weight 259.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1,2-bis(trifluoromethyl)benzene
Also Known As: 4-nitro-1,2-bis(trifluoromethyl)benzene, 3,4-Bis(trifluoromethyl)nitrobenzene, nitrobistrifluoromethylbenzene, Benzene, 4-nitro-1,2-bis(trifluoromethyl)-, 1,2-bis(trifluoromethyl)-4-nitrobenzene
| Molecular Formula | C8H3F6NO2 |
|---|---|
| Molecular Weight | 259.01 g/mol |
| LogP | 3.6324 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.0068 |
| Heavy Atoms | 17 |
| Complexity | 450.3091 |
Chemical Identifiers
| CAS Number | 1978-20-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)C(F)(F)F |
Product Overview
4-Nitro-1,2-bis(trifluoromethyl)benzene (CAS 1978-20-7), with molecular formula C8H3F6NO2 and molecular weight 259.01 g/mol. IUPAC: 4-nitro-1,2-bis(trifluoromethyl)benzene.
Chemical Property Profile of 4-Nitro-1,2-bis(trifluoromethyl)benzene
Property Insights of 4-Nitro-1,2-bis(trifluoromethyl)benzene
The XLogP value of 3.6324 indicates that 4-Nitro-1,2-bis(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 4-Nitro-1,2-bis(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitro-1,2-bis(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 2 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 4-Nitro-1,2-bis(trifluoromethyl)benzene?
The CAS number of 4-Nitro-1,2-bis(trifluoromethyl)benzene is 1978-20-7.
What is the molecular formula of 4-Nitro-1,2-bis(trifluoromethyl)benzene?
The molecular formula of 4-Nitro-1,2-bis(trifluoromethyl)benzene is C8H3F6NO2.
What is the molecular weight of 4-Nitro-1,2-bis(trifluoromethyl)benzene?
The molecular weight of 4-Nitro-1,2-bis(trifluoromethyl)benzene is 259.01 g/mol.
Where can I buy 4-Nitro-1,2-bis(trifluoromethyl)benzene?
You can request a quote for 4-Nitro-1,2-bis(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-1,2-bis(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-1,2-bis(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.