6-Nitro-1,3,8-trichlorodibenzofuran
TL;DR: 6-Nitro-1,3,8-trichlorodibenzofuran (CAS 125652-17-7) is a chemical compound with molecular formula C12H4Cl3NO3 and molecular weight 314.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,8-trichloro-6-nitrodibenzofuran
Also Known As: 6-Ncdf, 6-Nitro-1,3,8-trichlorodibenzofuran, 1,3,8-trichloro-6-nitrodibenzofuran, Dibenzofuran,1,3,8-trichloro-6-nitro-, Dibenzofuran, 1,3,8-trichloro-6-nitro-
| Molecular Formula | C12H4Cl3NO3 |
|---|---|
| Molecular Weight | 314.93 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 314.9257 |
| Heavy Atoms | 19 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 125652-17-7 |
|---|---|
| SMILES | C1=C(C=C(C2=C1C3=C(O2)C=C(C=C3Cl)Cl)[N+](=O)[O-])Cl |
| InChIKey | FDHMWCYHLUFGNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitro-1,3,8-trichlorodibenzofuran (CAS 125652-17-7), with molecular formula C12H4Cl3NO3 and molecular weight 314.93 g/mol. IUPAC: 1,3,8-trichloro-6-nitrodibenzofuran.
Chemical Property Profile of 6-Nitro-1,3,8-trichlorodibenzofuran
Property Insights of 6-Nitro-1,3,8-trichlorodibenzofuran
The XLogP value of 5.6 indicates that 6-Nitro-1,3,8-trichlorodibenzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 6-Nitro-1,3,8-trichlorodibenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Nitro-1,3,8-trichlorodibenzofuran has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Nitro-1,3,8-trichlorodibenzofuran?
The CAS number of 6-Nitro-1,3,8-trichlorodibenzofuran is 125652-17-7.
What is the molecular formula of 6-Nitro-1,3,8-trichlorodibenzofuran?
The molecular formula of 6-Nitro-1,3,8-trichlorodibenzofuran is C12H4Cl3NO3.
What is the molecular weight of 6-Nitro-1,3,8-trichlorodibenzofuran?
The molecular weight of 6-Nitro-1,3,8-trichlorodibenzofuran is 314.93 g/mol.
Where can I buy 6-Nitro-1,3,8-trichlorodibenzofuran?
You can request a quote for 6-Nitro-1,3,8-trichlorodibenzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-1,3,8-trichlorodibenzofuran?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-1,3,8-trichlorodibenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.