Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate
TL;DR: Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate (CAS 73986-60-4) is a chemical compound with molecular formula C13H5Cl5N2O4 and molecular weight 427.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,6-trichloro-2-nitrophenyl) N-(3,4-dichlorophenyl)carbamate
Also Known As: 3,4,6-Trichloro-2-nitrophenyl-3,4-dichlorocarbanilate, 2-Nitro-3,4,6-trichlorophenol 3,4-dichlorocarbanilate, Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate, (3,4,6-trichloro-2-nitrophenyl) N-(3,4-dichlorophenyl)carbamate, 3,4,6-Trichloro-2-nitrophenyl (3,4-dichlorophenyl)carbamate
| Molecular Formula | C13H5Cl5N2O4 |
|---|---|
| Molecular Weight | 427.87 g/mol |
| LogP | 6.4727 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.8692 |
| Heavy Atoms | 24 |
| Complexity | 843.59717 |
Chemical Identifiers
| CAS Number | 73986-60-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)OC2=C(C(=C(C=C2Cl)Cl)Cl)[N+](=O)[O-])Cl)Cl |
Product Overview
Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate (CAS 73986-60-4), with molecular formula C13H5Cl5N2O4 and molecular weight 427.87 g/mol. IUPAC: (3,4,6-trichloro-2-nitrophenyl) N-(3,4-dichlorophenyl)carbamate.
Chemical Property Profile of Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate
Property Insights of Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate
The XLogP value of 6.4727 indicates that Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate. Following Lipinski's Rule of Five, Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate has 1 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 Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate?
The CAS number of Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate is 73986-60-4.
What is the molecular formula of Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate?
The molecular formula of Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate is C13H5Cl5N2O4.
What is the molecular weight of Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate?
The molecular weight of Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate is 427.87 g/mol.
Where can I buy Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate?
You can request a quote for Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-nitro-3,4,6-trichloro-, 3,4-dichlorocarbanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.