1-Bromo-2-nitro-4,5-bis(trifluoromethyl)benzene
TL;DR: 1-Bromo-2-nitro-4,5-bis(trifluoromethyl)benzene (CAS 229957-08-8) is a chemical compound with molecular formula C8H2BrF6NO2 and molecular weight 336.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-nitro-4,5-bis(trifluoromethyl)benzene
Also Known As: 1-bromo-2-nitro-4,5-bis(trifluoromethyl)benzene, 1-bromo-2-nitro-4,5-di(trifluoromethyl)benzene, 1-Bromo-2-nitro-4,5-bis-trifluoromethyl-benzene, 9766AH, 4,5-Bis(trifluoromethyl)-2-bromonitrobenzene
| Molecular Formula | C8H2BrF6NO2 |
|---|---|
| Molecular Weight | 336.92 g/mol |
| LogP | 4.3949 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.9173 |
| Heavy Atoms | 18 |
| Complexity | 495.58615 |
Chemical Identifiers
| CAS Number | 229957-08-8 |
|---|---|
| SMILES | C1=C(C(=CC(=C1[N+](=O)[O-])Br)C(F)(F)F)C(F)(F)F |
Product Overview
1-Bromo-2-nitro-4,5-bis(trifluoromethyl)benzene (CAS 229957-08-8), with molecular formula C8H2BrF6NO2 and molecular weight 336.92 g/mol. IUPAC: 1-bromo-2-nitro-4,5-bis(trifluoromethyl)benzene.
Chemical Property Profile of 1-Bromo-2-nitro-4,5-bis(trifluoromethyl)benzene
Property Insights of 1-Bromo-2-nitro-4,5-bis(trifluoromethyl)benzene
The XLogP value of 4.3949 indicates that 1-Bromo-2-nitro-4,5-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, 1-Bromo-2-nitro-4,5-bis(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-nitro-4,5-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 1-Bromo-2-nitro-4,5-bis(trifluoromethyl)benzene?
The CAS number of 1-Bromo-2-nitro-4,5-bis(trifluoromethyl)benzene is 229957-08-8.
What is the molecular formula of 1-Bromo-2-nitro-4,5-bis(trifluoromethyl)benzene?
The molecular formula of 1-Bromo-2-nitro-4,5-bis(trifluoromethyl)benzene is C8H2BrF6NO2.
What is the molecular weight of 1-Bromo-2-nitro-4,5-bis(trifluoromethyl)benzene?
The molecular weight of 1-Bromo-2-nitro-4,5-bis(trifluoromethyl)benzene is 336.92 g/mol.
Where can I buy 1-Bromo-2-nitro-4,5-bis(trifluoromethyl)benzene?
You can request a quote for 1-Bromo-2-nitro-4,5-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 1-Bromo-2-nitro-4,5-bis(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2-nitro-4,5-bis(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.