3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl
TL;DR: 3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl (CAS 16720-35-7) is a chemical compound with molecular formula C14H8N6O12 and molecular weight 452.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(3-methyl-2,4,6-trinitrophenyl)-1,3,5-trinitrobenzene
Also Known As: 3,3'-dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl, J1.074.327C, 3,3'-dimethyl-2,2',4,4',6,6'-hexanitro-1,1'-biphenyl, 1,1-Biphenyl,3,3-dimethyl-2,2,4,4,6,6-hexanitro-, 1,1'-Biphenyl,3,3'-dimethyl-2,2',4,4',6,6'-hexanitro-
| Molecular Formula | C14H8N6O12 |
|---|---|
| Molecular Weight | 452.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 275.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 1 |
| Exact Mass | 452.02002 |
| Heavy Atoms | 32 |
| Complexity | 751.0 |
Chemical Identifiers
| CAS Number | 16720-35-7 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C(=C2[N+](=O)[O-])C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YREWUMZAYZMEAP-UHFFFAOYSA-N |
Product Overview
3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl (CAS 16720-35-7), with molecular formula C14H8N6O12 and molecular weight 452.02 g/mol. IUPAC: 2-methyl-4-(3-methyl-2,4,6-trinitrophenyl)-1,3,5-trinitrobenzene.
Chemical Property Profile of 3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl
Property Insights of 3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl
The XLogP value of 3.3 indicates that 3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 275.0 Ų indicates high polarity, suggesting 3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl has 0 hydrogen bond donor(s) and 12 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'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl?
The CAS number of 3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl is 16720-35-7.
What is the molecular formula of 3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl?
The molecular formula of 3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl is C14H8N6O12.
What is the molecular weight of 3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl?
The molecular weight of 3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl is 452.02 g/mol.
Where can I buy 3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl?
You can request a quote for 3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.