Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate
TL;DR: Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate (CAS 73758-37-9) is a chemical compound with molecular formula C9H6Cl2N2O7 and molecular weight 323.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4,6-dinitrophenyl) 2-chloroethyl carbonate
Also Known As: 2-Chloro-4,6-dinitrophenyl-2-chloroethyl carbonate, Carbonic acid, 2-chloro-4,6-dinitrophenyl 2-chloroethyl ester, Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate, Phenol,6-dinitro-, 2-chloroethylcarbonate, (2-chloro-4,6-dinitrophenyl) 2-chloroethyl carbonate
| Molecular Formula | C9H6Cl2N2O7 |
|---|---|
| Molecular Weight | 323.96 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.9552 |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 73758-37-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])OC(=O)OCCCl)Cl)[N+](=O)[O-] |
| InChIKey | HZDYUFBJVYRBMA-UHFFFAOYSA-N |
Product Overview
Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate (CAS 73758-37-9), with molecular formula C9H6Cl2N2O7 and molecular weight 323.96 g/mol. IUPAC: (2-chloro-4,6-dinitrophenyl) 2-chloroethyl carbonate.
Chemical Property Profile of Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate
Property Insights of Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate
The XLogP value of 3.0 indicates that Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate. Following Lipinski's Rule of Five, Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate?
The CAS number of Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate is 73758-37-9.
What is the molecular formula of Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate?
The molecular formula of Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate is C9H6Cl2N2O7.
What is the molecular weight of Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate?
The molecular weight of Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate is 323.96 g/mol.
Where can I buy Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate?
You can request a quote for Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-chloro-4,6-dinitro-, 2-chloroethylcarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.