alpha-Chloro-2,4-dinitrotoluene
TL;DR: alpha-Chloro-2,4-dinitrotoluene (CAS 610-57-1) is a chemical compound with molecular formula C7H5ClN2O4 and molecular weight 215.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)-2,4-dinitrobenzene
Also Known As: 2,4-Dinitrobenzyl chloride, 1-(Chloromethyl)-2,4-dinitrobenzene, alpha-Chloro-2,4-dinitrotoluene, 2,4-Dinitrobenzylchloride, Benzene, 1-(chloromethyl)-2,4-dinitro-
| Molecular Formula | C7H5ClN2O4 |
|---|---|
| Molecular Weight | 215.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.99379 |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 610-57-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCl |
| InChIKey | DARDYTBLZQDXBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Chloro-2,4-dinitrotoluene (CAS 610-57-1), with molecular formula C7H5ClN2O4 and molecular weight 215.99 g/mol. IUPAC: 1-(chloromethyl)-2,4-dinitrobenzene.
Chemical Property Profile of alpha-Chloro-2,4-dinitrotoluene
Property Insights of alpha-Chloro-2,4-dinitrotoluene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Chloro-2,4-dinitrotoluene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Chloro-2,4-dinitrotoluene. Following Lipinski's Rule of Five, alpha-Chloro-2,4-dinitrotoluene 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 alpha-Chloro-2,4-dinitrotoluene?
The CAS number of alpha-Chloro-2,4-dinitrotoluene is 610-57-1.
What is the molecular formula of alpha-Chloro-2,4-dinitrotoluene?
The molecular formula of alpha-Chloro-2,4-dinitrotoluene is C7H5ClN2O4.
What is the molecular weight of alpha-Chloro-2,4-dinitrotoluene?
The molecular weight of alpha-Chloro-2,4-dinitrotoluene is 215.99 g/mol.
Where can I buy alpha-Chloro-2,4-dinitrotoluene?
You can request a quote for alpha-Chloro-2,4-dinitrotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Chloro-2,4-dinitrotoluene?
Yes, KEHONG BIO provides custom synthesis services for alpha-Chloro-2,4-dinitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.