3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin
TL;DR: 3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin (CAS 101126-65-2) is a chemical compound with molecular formula C12H2Cl5NO4 and molecular weight 398.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4,7,8-pentachloro-3-nitrodibenzo-p-dioxin
Also Known As: 3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin, 1,2,4,7,8-pentachloro-3-nitrooxanthrene, 1,2,4,7,8-pentachloro-3-nitrodibenzo-p-dioxin, DIBENZO-p-DIOXIN, 3-NITRO-1,2,4,7,8-PENTACHLORO-
| Molecular Formula | C12H2Cl5NO4 |
|---|---|
| Molecular Weight | 398.84 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 400.8397 |
| Heavy Atoms | 22 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 101126-65-2 |
|---|---|
| SMILES | C1=C2C(=CC(=C1Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)[N+](=O)[O-])Cl |
| InChIKey | KETCEPLTWRYWQQ-UHFFFAOYSA-N |
Product Overview
3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin (CAS 101126-65-2), with molecular formula C12H2Cl5NO4 and molecular weight 398.84 g/mol. IUPAC: 1,2,4,7,8-pentachloro-3-nitrodibenzo-p-dioxin.
Chemical Property Profile of 3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin
Property Insights of 3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin
The XLogP value of 6.0 indicates that 3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin. Following Lipinski's Rule of Five, 3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin 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 3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin?
The CAS number of 3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin is 101126-65-2.
What is the molecular formula of 3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin?
The molecular formula of 3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin is C12H2Cl5NO4.
What is the molecular weight of 3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin?
The molecular weight of 3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin is 398.84 g/mol.
Where can I buy 3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin?
You can request a quote for 3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-1,2,4,7,8-pentachlorodibenzo-p-dioxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.