2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl
TL;DR: 2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl (CAS 85514-40-5) is a chemical compound with molecular formula C14H6Cl6N2O4 and molecular weight 475.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trichloro-2-methyl-4-nitro-6-(2,4,6-trichloro-3-methyl-5-nitrophenyl)benzene
Also Known As: 2,2',4,4',6,6'-hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl, Bis-(2,4,6-trichloro-3-nitro-5-methyl-benzene), 1,3,5-trichloro-2-methyl-4-nitro-6-(2,4,6-trichloro-3-methyl, 1,1'-Biphenyl,2,2',4,4',6,6'-hexachloro-3,3'-dimethyl-5,5'-dinitro-, 2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitro-1,1'-biphenyl
| Molecular Formula | C14H6Cl6N2O4 |
|---|---|
| Molecular Weight | 475.85 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 475.8459 |
| Heavy Atoms | 26 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 85514-40-5 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1Cl)[N+](=O)[O-])Cl)C2=C(C(=C(C(=C2Cl)C)Cl)[N+](=O)[O-])Cl)Cl |
| InChIKey | RKMYVKBGFHNXFA-UHFFFAOYSA-N |
Product Overview
2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl (CAS 85514-40-5), with molecular formula C14H6Cl6N2O4 and molecular weight 475.85 g/mol. IUPAC: 1,3,5-trichloro-2-methyl-4-nitro-6-(2,4,6-trichloro-3-methyl-5-nitrophenyl)benzene.
Chemical Property Profile of 2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl
Property Insights of 2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl
The XLogP value of 7.7 indicates that 2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl. Following Lipinski's Rule of Five, 2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl?
The CAS number of 2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl is 85514-40-5.
What is the molecular formula of 2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl?
The molecular formula of 2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl is C14H6Cl6N2O4.
What is the molecular weight of 2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl?
The molecular weight of 2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl is 475.85 g/mol.
Where can I buy 2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl?
You can request a quote for 2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 2,2',4,4',6,6'-Hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.