3,3',4,5,5'-Pentachlorobiphenyl
TL;DR: 3,3',4,5,5'-Pentachlorobiphenyl (CAS 39635-33-1) is a chemical compound with molecular formula C12H5Cl5 and molecular weight 323.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trichloro-5-(3,5-dichlorophenyl)benzene
Also Known As: 3,3',4,5,5'-Pentachlorobiphenyl, Diisobutylaluminumhydride, PCB 127, Pcb No. 127, PCB NO 127
| Molecular Formula | C12H5Cl5 |
|---|---|
| Molecular Weight | 323.88 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.88043 |
| Heavy Atoms | 17 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 39635-33-1 |
|---|---|
| SMILES | C1=C(C=C(C=C1Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl |
| InChIKey | MXVAYAXIPRGORY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3',4,5,5'-Pentachlorobiphenyl (CAS 39635-33-1), with molecular formula C12H5Cl5 and molecular weight 323.88 g/mol. IUPAC: 1,2,3-trichloro-5-(3,5-dichlorophenyl)benzene.
Chemical Property Profile of 3,3',4,5,5'-Pentachlorobiphenyl
Property Insights of 3,3',4,5,5'-Pentachlorobiphenyl
The XLogP value of 6.8 indicates that 3,3',4,5,5'-Pentachlorobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3',4,5,5'-Pentachlorobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3',4,5,5'-Pentachlorobiphenyl has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3',4,5,5'-Pentachlorobiphenyl?
The CAS number of 3,3',4,5,5'-Pentachlorobiphenyl is 39635-33-1.
What is the molecular formula of 3,3',4,5,5'-Pentachlorobiphenyl?
The molecular formula of 3,3',4,5,5'-Pentachlorobiphenyl is C12H5Cl5.
What is the molecular weight of 3,3',4,5,5'-Pentachlorobiphenyl?
The molecular weight of 3,3',4,5,5'-Pentachlorobiphenyl is 323.88 g/mol.
Where can I buy 3,3',4,5,5'-Pentachlorobiphenyl?
You can request a quote for 3,3',4,5,5'-Pentachlorobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3',4,5,5'-Pentachlorobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 3,3',4,5,5'-Pentachlorobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.