Bromotrinitromethane
TL;DR: Bromotrinitromethane (CAS 560-95-2) is a chemical compound with molecular formula CBrN3O6 and molecular weight 228.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bromo(trinitro)methane
Also Known As: Bromotrinitromethane, Bromopicrin, METHANE, BROMOTRINITRO-, Trinitrobromomethane, bromo(trinitro)methane
| Molecular Formula | CBrN3O6 |
|---|---|
| Molecular Weight | 228.90 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.89705 |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 560-95-2 |
|---|---|
| SMILES | C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])Br |
| InChIKey | KWSSHZBBUQSMKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromotrinitromethane (CAS 560-95-2), with molecular formula CBrN3O6 and molecular weight 228.90 g/mol. IUPAC: bromo(trinitro)methane.
Chemical Property Profile of Bromotrinitromethane
Property Insights of Bromotrinitromethane
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromotrinitromethane. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromotrinitromethane. Following Lipinski's Rule of Five, Bromotrinitromethane 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 Bromotrinitromethane?
The CAS number of Bromotrinitromethane is 560-95-2.
What is the molecular formula of Bromotrinitromethane?
The molecular formula of Bromotrinitromethane is CBrN3O6.
What is the molecular weight of Bromotrinitromethane?
The molecular weight of Bromotrinitromethane is 228.90 g/mol.
Where can I buy Bromotrinitromethane?
You can request a quote for Bromotrinitromethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromotrinitromethane?
Yes, KEHONG BIO provides custom synthesis services for Bromotrinitromethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.