4-Bromo-3-nitrobiphenyl
TL;DR: 4-Bromo-3-nitrobiphenyl (CAS 27701-66-2) is a chemical compound with molecular formula C12H8BrNO2 and molecular weight 276.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-nitro-4-phenylbenzene
Also Known As: 4-Bromo-3-nitrobiphenyl, 4-Bromo-3-nitro-1,1'-biphenyl, 1-bromo-2-nitro-4-phenylbenzene, 4-bromo-3-nitro-biphenyl, 1,1'-Biphenyl, 4-bromo-3-nitro-
| Molecular Formula | C12H8BrNO2 |
|---|---|
| Molecular Weight | 276.97 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.97385 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 27701-66-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=C(C=C2)Br)[N+](=O)[O-] |
| InChIKey | NVBGNJFLYDTGTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-3-nitrobiphenyl (CAS 27701-66-2), with molecular formula C12H8BrNO2 and molecular weight 276.97 g/mol. IUPAC: 1-bromo-2-nitro-4-phenylbenzene.
Chemical Property Profile of 4-Bromo-3-nitrobiphenyl
Property Insights of 4-Bromo-3-nitrobiphenyl
The XLogP value of 4.2 indicates that 4-Bromo-3-nitrobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 4-Bromo-3-nitrobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-nitrobiphenyl 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-Bromo-3-nitrobiphenyl?
The CAS number of 4-Bromo-3-nitrobiphenyl is 27701-66-2.
What is the molecular formula of 4-Bromo-3-nitrobiphenyl?
The molecular formula of 4-Bromo-3-nitrobiphenyl is C12H8BrNO2.
What is the molecular weight of 4-Bromo-3-nitrobiphenyl?
The molecular weight of 4-Bromo-3-nitrobiphenyl is 276.97 g/mol.
Where can I buy 4-Bromo-3-nitrobiphenyl?
You can request a quote for 4-Bromo-3-nitrobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3-nitrobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-nitrobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.