Benzene, 1-(chloromethyl)-3,5-dinitro-
TL;DR: Benzene, 1-(chloromethyl)-3,5-dinitro- (CAS 74367-78-5) 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)-3,5-dinitrobenzene
Also Known As: 3,5-Dinitrobenzyl chloride, 1-(Chloromethyl)-3,5-dinitrobenzene, 3,5-dinitrobenzylchloride, Benzene, 1-(chloromethyl)-3,5-dinitro-, alpha-Chloro-3,5-dinitrotoluene
| 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 | 215.0 |
Chemical Identifiers
| CAS Number | 74367-78-5 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCl |
| InChIKey | SMJODKZAFKWUJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-(chloromethyl)-3,5-dinitro- (CAS 74367-78-5), with molecular formula C7H5ClN2O4 and molecular weight 215.99 g/mol. IUPAC: 1-(chloromethyl)-3,5-dinitrobenzene.
Chemical Property Profile of Benzene, 1-(chloromethyl)-3,5-dinitro-
Property Insights of Benzene, 1-(chloromethyl)-3,5-dinitro-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-(chloromethyl)-3,5-dinitro-. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-(chloromethyl)-3,5-dinitro-. Following Lipinski's Rule of Five, Benzene, 1-(chloromethyl)-3,5-dinitro- 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 Benzene, 1-(chloromethyl)-3,5-dinitro-?
The CAS number of Benzene, 1-(chloromethyl)-3,5-dinitro- is 74367-78-5.
What is the molecular formula of Benzene, 1-(chloromethyl)-3,5-dinitro-?
The molecular formula of Benzene, 1-(chloromethyl)-3,5-dinitro- is C7H5ClN2O4.
What is the molecular weight of Benzene, 1-(chloromethyl)-3,5-dinitro-?
The molecular weight of Benzene, 1-(chloromethyl)-3,5-dinitro- is 215.99 g/mol.
Where can I buy Benzene, 1-(chloromethyl)-3,5-dinitro-?
You can request a quote for Benzene, 1-(chloromethyl)-3,5-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(chloromethyl)-3,5-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(chloromethyl)-3,5-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.