1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene
TL;DR: 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene (CAS 1046-76-0) is a chemical compound with molecular formula C12H6ClN3O7S and molecular weight 370.9615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene
Also Known As: 1-(4-chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene, 1-(4-Chloro-3-nitrobenzene-1-sulfinyl)-2,4-dinitrobenzene
Technical Specifications
| Molecular Formula | C12H6ClN3O7S |
| Molecular Weight | 370.9615 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 174.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.9615 Da |
| Heavy Atoms | 24 |
| Complexity | 546.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | ISIVLUMFGNTASJ-UHFFFAOYSA-N |
Product Description
Applications: 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene (CAS 1046-76-0) has the molecular formula C12H6ClN3O7S and a molecular weight of 370.96 g/mol. Synonyms include 1-(4-chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene and 1-(4-Chloro-3-nitrobenzene-1-sulfinyl)-2,4-dinitrobenzene.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene
Property Insights of 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene. The TPSA of 174.0 Ų indicates high polarity, suggesting 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene?
The CAS number of 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene is 1046-76-0.
What is the molecular formula of 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene?
The molecular formula of 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene is C12H6ClN3O7S.
What is the molecular weight of 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene?
The molecular weight of 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene is 370.9615 g/mol.
What are the applications of 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene?
1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical...
Where can I buy 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene?
You can request a quote for 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1-(4-Chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.