2,4,6-三硝基苯甲酰氯
TL;DR: 2,4,6-三硝基苯甲酰氯 (CAS 7500-86-9) is a chemical compound with molecular formula C7H2ClN3O7 and molecular weight 274.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-三硝基苯甲酰氯
2,4,6-trinitrobenzoyl chloride
Also Known As: 2,4,6-Trinitrobenzoyl chloride, Trinitrobenzoyl chloride, Trinitrobenzoyl chloride (VAN), 2,4,6-Trinitrobenzoylchloride, 2,6-Trinitrobenzoyl chloride
| Molecular Formula | C7H2ClN3O7 |
|---|---|
| Molecular Weight | 274.96 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.95813 |
| Heavy Atoms | 18 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 7500-86-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)Cl)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MWGGWCCALVNFPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-三硝基苯甲酰氯 (CAS 7500-86-9), with molecular formula C7H2ClN3O7 and molecular weight 274.96 g/mol. IUPAC: 2,4,6-trinitrobenzoyl chloride.
Chemical Property Profile of 2,4,6-三硝基苯甲酰氯
Property Insights of 2,4,6-三硝基苯甲酰氯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-三硝基苯甲酰氯. The TPSA of 155.0 Ų indicates high polarity, suggesting 2,4,6-三硝基苯甲酰氯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-三硝基苯甲酰氯 has 0 hydrogen bond donor(s) and 7 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 2,4,6-三硝基苯甲酰氯?
The CAS number of 2,4,6-三硝基苯甲酰氯 is 7500-86-9.
What is the molecular formula of 2,4,6-三硝基苯甲酰氯?
The molecular formula of 2,4,6-三硝基苯甲酰氯 is C7H2ClN3O7.
What is the molecular weight of 2,4,6-三硝基苯甲酰氯?
The molecular weight of 2,4,6-三硝基苯甲酰氯 is 274.96 g/mol.
Where can I buy 2,4,6-三硝基苯甲酰氯?
You can request a quote for 2,4,6-三硝基苯甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-三硝基苯甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-三硝基苯甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.