1-Bromo-2,4-difluoro-5-nitrobenzene
TL;DR: 1-Bromo-2,4-difluoro-5-nitrobenzene (CAS 39176-94-8) is a chemical compound with molecular formula C6H2BrF2NO2 and molecular weight 236.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2,4-difluoro-5-nitrobenzene
Also Known As: 1-bromo-2,4-difluoro-5-nitrobenzene, 5-Bromo-2,4-difluoronitrobenzene, bromodifluoronitrobenzene, 2,4-Difluoro-5-nitrobroMobenzene, Benzene, 1-bromo-2,4-difluoro-5-nitro-
| Molecular Formula | C6H2BrF2NO2 |
|---|---|
| Molecular Weight | 236.92 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 236.9237 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 39176-94-8 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Br)F)F)[N+](=O)[O-] |
| InChIKey | OOUUWURPSUSDTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-2,4-difluoro-5-nitrobenzene (CAS 39176-94-8), with molecular formula C6H2BrF2NO2 and molecular weight 236.92 g/mol. IUPAC: 1-bromo-2,4-difluoro-5-nitrobenzene.
Chemical Property Profile of 1-Bromo-2,4-difluoro-5-nitrobenzene
Property Insights of 1-Bromo-2,4-difluoro-5-nitrobenzene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-2,4-difluoro-5-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Bromo-2,4-difluoro-5-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2,4-difluoro-5-nitrobenzene has 0 hydrogen bond donor(s) and 4 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-2,4-difluoro-5-nitrobenzene?
The CAS number of 1-Bromo-2,4-difluoro-5-nitrobenzene is 39176-94-8.
What is the molecular formula of 1-Bromo-2,4-difluoro-5-nitrobenzene?
The molecular formula of 1-Bromo-2,4-difluoro-5-nitrobenzene is C6H2BrF2NO2.
What is the molecular weight of 1-Bromo-2,4-difluoro-5-nitrobenzene?
The molecular weight of 1-Bromo-2,4-difluoro-5-nitrobenzene is 236.92 g/mol.
Where can I buy 1-Bromo-2,4-difluoro-5-nitrobenzene?
You can request a quote for 1-Bromo-2,4-difluoro-5-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-2,4-difluoro-5-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2,4-difluoro-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.