6-Nitro-2',3',4,4',5'-pentachlorobiphenyl
TL;DR: 6-Nitro-2',3',4,4',5'-pentachlorobiphenyl (CAS 116453-31-7) is a chemical compound with molecular formula C12H4Cl5NO2 and molecular weight 368.86847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4-tetrachloro-5-(4-chloro-2-nitrophenyl)benzene
Also Known As: 6-Nitro-2',3',4,4',5'-pentachlorobiphenyl, 1,2,3,4-tetrachloro-5-(4-chloro-2-nitrophenyl)benzene, 1,2,3,4-tetrachloro-5-(4-chloro-2-nitro-phenyl)benzene, 2,3,4,4',5-Pentachloro-2'-nitro-1,1'-biphenyl
Technical Specifications
| Molecular Formula | C12H4Cl5NO2 |
| Molecular Weight | 368.86847 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.86847 Da |
| Heavy Atoms | 20 |
| Complexity | 366.0 |
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])C2=CC(=C(C(=C2Cl)Cl)Cl)Cl |
| InChIKey | VFWWVRDDFPIWRQ-UHFFFAOYSA-N |
Chemical Property Profile of 6-Nitro-2',3',4,4',5'-pentachlorobiphenyl
Property Insights of 6-Nitro-2',3',4,4',5'-pentachlorobiphenyl
The XLogP value of 6.6 indicates that 6-Nitro-2',3',4,4',5'-pentachlorobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 6-Nitro-2',3',4,4',5'-pentachlorobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Nitro-2',3',4,4',5'-pentachlorobiphenyl has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 6-Nitro-2',3',4,4',5'-pentachlorobiphenyl?
The CAS number of 6-Nitro-2',3',4,4',5'-pentachlorobiphenyl is 116453-31-7.
What is the molecular formula of 6-Nitro-2',3',4,4',5'-pentachlorobiphenyl?
The molecular formula of 6-Nitro-2',3',4,4',5'-pentachlorobiphenyl is C12H4Cl5NO2.
What is the molecular weight of 6-Nitro-2',3',4,4',5'-pentachlorobiphenyl?
The molecular weight of 6-Nitro-2',3',4,4',5'-pentachlorobiphenyl is 368.86847 g/mol.
Where can I buy 6-Nitro-2',3',4,4',5'-pentachlorobiphenyl?
You can request a quote for 6-Nitro-2',3',4,4',5'-pentachlorobiphenyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Nitro-2',3',4,4',5'-pentachlorobiphenyl?
Yes, CoreyChem provides custom synthesis services for 6-Nitro-2',3',4,4',5'-pentachlorobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.