4-Chloro-4'-nitro-1,1'-biphenyl
TL;DR: 4-Chloro-4'-nitro-1,1'-biphenyl (CAS 6242-97-3) is a chemical compound with molecular formula C12H8ClNO2 and molecular weight 233.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-4-nitrobenzene
Also Known As: 4-Chloro-4'-nitro-1,1'-biphenyl, 1-Chloro-4-(4-nitrophenyl)benzene, 4-Chloro-4'-nitrobiphenyl, 1-(4-chlorophenyl)-4-nitrobenzene, BIPHENYL, 4-CHLORO-4'-NITRO-
| Molecular Formula | C12H8ClNO2 |
|---|---|
| Molecular Weight | 233.02 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.02435 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 6242-97-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | HKWAORHMKKVNIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-4'-nitro-1,1'-biphenyl (CAS 6242-97-3), with molecular formula C12H8ClNO2 and molecular weight 233.02 g/mol. IUPAC: 1-(4-chlorophenyl)-4-nitrobenzene.
Chemical Property Profile of 4-Chloro-4'-nitro-1,1'-biphenyl
Property Insights of 4-Chloro-4'-nitro-1,1'-biphenyl
The XLogP value of 4.8 indicates that 4-Chloro-4'-nitro-1,1'-biphenyl 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-Chloro-4'-nitro-1,1'-biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-4'-nitro-1,1'-biphenyl 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-Chloro-4'-nitro-1,1'-biphenyl?
The CAS number of 4-Chloro-4'-nitro-1,1'-biphenyl is 6242-97-3.
What is the molecular formula of 4-Chloro-4'-nitro-1,1'-biphenyl?
The molecular formula of 4-Chloro-4'-nitro-1,1'-biphenyl is C12H8ClNO2.
What is the molecular weight of 4-Chloro-4'-nitro-1,1'-biphenyl?
The molecular weight of 4-Chloro-4'-nitro-1,1'-biphenyl is 233.02 g/mol.
Where can I buy 4-Chloro-4'-nitro-1,1'-biphenyl?
You can request a quote for 4-Chloro-4'-nitro-1,1'-biphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-4'-nitro-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-4'-nitro-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.