Benzene, chlorotrinitro-
TL;DR: Benzene, chlorotrinitro- (CAS 28260-61-9) is a chemical compound with molecular formula C6H2ClN3O6 and molecular weight 246.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2,3,4-trinitrobenzene
Also Known As: Trinitrochlorobenzene, Benzene, chlorotrinitro-, 1-chloro-2,3,4-trinitrobenzene, Trinitrochlorobenzene or picryl chloride, Trinitrochlorobenzene or picryl chloride [UN0155] [Explosive 1.1D]
| Molecular Formula | C6H2ClN3O6 |
|---|---|
| Molecular Weight | 246.96 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.96321 |
| Heavy Atoms | 16 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 28260-61-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl |
| InChIKey | SRYLRVUJDQTFDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, chlorotrinitro- (CAS 28260-61-9), with molecular formula C6H2ClN3O6 and molecular weight 246.96 g/mol. IUPAC: 1-chloro-2,3,4-trinitrobenzene.
Chemical Property Profile of Benzene, chlorotrinitro-
Property Insights of Benzene, chlorotrinitro-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, chlorotrinitro-. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, chlorotrinitro-. Following Lipinski's Rule of Five, Benzene, chlorotrinitro- has 0 hydrogen bond donor(s) and 6 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, chlorotrinitro-?
The CAS number of Benzene, chlorotrinitro- is 28260-61-9.
What is the molecular formula of Benzene, chlorotrinitro-?
The molecular formula of Benzene, chlorotrinitro- is C6H2ClN3O6.
What is the molecular weight of Benzene, chlorotrinitro-?
The molecular weight of Benzene, chlorotrinitro- is 246.96 g/mol.
Where can I buy Benzene, chlorotrinitro-?
You can request a quote for Benzene, chlorotrinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, chlorotrinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, chlorotrinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.