Benzene, 2-chloro-5-(1-methylethyl)-1,3-dinitro-
TL;DR: Benzene, 2-chloro-5-(1-methylethyl)-1,3-dinitro- (CAS 36663-75-9) is a chemical compound with molecular formula C9H9ClN2O4 and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,3-dinitro-5-propan-2-ylbenzene
Also Known As: 4-Chloro-3,5-dinitrocumene, 2-chloro-1,3-dinitro-5-propan-2-ylbenzene, Benzene, 2-chloro-5-(1-methylethyl)-1,3-dinitro-, 2-chloro-5-isopropyl-1,3-dinitrobenzene, 2-chloro-1,3-dinitro-5-(propan-2-yl)benzene
| Molecular Formula | C9H9ClN2O4 |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 3.2798 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.02509 |
| Heavy Atoms | 16 |
| Complexity | 423.81735 |
Chemical Identifiers
| CAS Number | 36663-75-9 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-] |
Product Overview
Benzene, 2-chloro-5-(1-methylethyl)-1,3-dinitro- (CAS 36663-75-9), with molecular formula C9H9ClN2O4 and molecular weight 244.03 g/mol. IUPAC: 2-chloro-1,3-dinitro-5-propan-2-ylbenzene.
Chemical Property Profile of Benzene, 2-chloro-5-(1-methylethyl)-1,3-dinitro-
Property Insights of Benzene, 2-chloro-5-(1-methylethyl)-1,3-dinitro-
The XLogP value of 3.2798 indicates that Benzene, 2-chloro-5-(1-methylethyl)-1,3-dinitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 2-chloro-5-(1-methylethyl)-1,3-dinitro-. Following Lipinski's Rule of Five, Benzene, 2-chloro-5-(1-methylethyl)-1,3-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, 2-chloro-5-(1-methylethyl)-1,3-dinitro-?
The CAS number of Benzene, 2-chloro-5-(1-methylethyl)-1,3-dinitro- is 36663-75-9.
What is the molecular formula of Benzene, 2-chloro-5-(1-methylethyl)-1,3-dinitro-?
The molecular formula of Benzene, 2-chloro-5-(1-methylethyl)-1,3-dinitro- is C9H9ClN2O4.
What is the molecular weight of Benzene, 2-chloro-5-(1-methylethyl)-1,3-dinitro-?
The molecular weight of Benzene, 2-chloro-5-(1-methylethyl)-1,3-dinitro- is 244.03 g/mol.
Where can I buy Benzene, 2-chloro-5-(1-methylethyl)-1,3-dinitro-?
You can request a quote for Benzene, 2-chloro-5-(1-methylethyl)-1,3-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2-chloro-5-(1-methylethyl)-1,3-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2-chloro-5-(1-methylethyl)-1,3-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.