2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)dioxin
TL;DR: 2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)dioxin (CAS 71712-70-4) is a chemical compound with molecular formula C12H4Cl3NO4 and molecular weight 330.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,7-trichloro-8-nitrodibenzo-p-dioxin
Also Known As: 2NTCDD, 8-Nitro-2,3,7-trichlorodibenzo-p-dioxin, 2,3,7-trichloro-8-nitrodibenzo-p-dioxin, 2-Nitro-3,7,8-trichlorodibenzo-4-dioxin, 2,3,7-TRICHLORO-8-NITROOXANTHRENE
| Molecular Formula | C12H4Cl3NO4 |
|---|---|
| Molecular Weight | 330.92 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 330.9206 |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 71712-70-4 |
|---|---|
| SMILES | C1=C(C(=CC2=C1OC3=CC(=C(C=C3O2)Cl)Cl)Cl)[N+](=O)[O-] |
| InChIKey | GOPUMYRJSKUMAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)dioxin (CAS 71712-70-4), with molecular formula C12H4Cl3NO4 and molecular weight 330.92 g/mol. IUPAC: 2,3,7-trichloro-8-nitrodibenzo-p-dioxin.
Chemical Property Profile of 2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)dioxin
Property Insights of 2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)dioxin
The XLogP value of 5.6 indicates that 2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)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 2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)dioxin. Following Lipinski's Rule of Five, 2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)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 2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)dioxin?
The CAS number of 2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)dioxin is 71712-70-4.
What is the molecular formula of 2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)dioxin?
The molecular formula of 2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)dioxin is C12H4Cl3NO4.
What is the molecular weight of 2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)dioxin?
The molecular weight of 2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)dioxin is 330.92 g/mol.
Where can I buy 2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)dioxin?
You can request a quote for 2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)dioxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)dioxin?
Yes, KEHONG BIO provides custom synthesis services for 2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)dioxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.