Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester
TL;DR: Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester (CAS 23561-36-6) is a chemical compound with molecular formula C7H5Cl3NO4P and molecular weight 302.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-1-dichlorophosphoryloxy-4-nitrobenzene
Also Known As: Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester, 2-(chloromethyl)-4-nitrophenyl phosphorodichloridate, 2-(chloromethyl)-1-dichlorophosphoryloxy-4-nitrobenzene, 2-Chlormethyl-4-nitro-phenyl-phosphorodichloridat, Dichloridophosphoricacid2- -4-nitrophenylester
| Molecular Formula | C7H5Cl3NO4P |
|---|---|
| Molecular Weight | 302.90 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.9022 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 23561-36-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])CCl)OP(=O)(Cl)Cl |
| InChIKey | KWKRRLZRKOWLBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester (CAS 23561-36-6), with molecular formula C7H5Cl3NO4P and molecular weight 302.90 g/mol. IUPAC: 2-(chloromethyl)-1-dichlorophosphoryloxy-4-nitrobenzene.
Chemical Property Profile of Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester
Property Insights of Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester
The XLogP value of 3.0 indicates that Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester. Following Lipinski's Rule of Five, Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester has 0 hydrogen bond donor(s) and 4 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 Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester?
The CAS number of Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester is 23561-36-6.
What is the molecular formula of Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester?
The molecular formula of Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester is C7H5Cl3NO4P.
What is the molecular weight of Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester?
The molecular weight of Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester is 302.90 g/mol.
Where can I buy Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester?
You can request a quote for Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.