Bromotrinitromethane
TL;DR: Bromotrinitromethane (CAS 560-95-2) is a chemical compound with molecular formula CBrN3O6 and molecular weight 228.89705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bromo(trinitro)methane
Also Known As: Bromotrinitromethane, Bromopicrin, METHANE, BROMOTRINITRO-, Trinitrobromomethane, bromo(trinitro)methane
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | CBrN3O6 |
| Molecular Weight | 228.89705 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.89705 Da |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
| SMILES | C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])Br |
| InChIKey | KWSSHZBBUQSMKF-UHFFFAOYSA-N |
Product Description
Applications: Bromotrinitromethane is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
Bromotrinitromethane is a polymer intermediate identified by CAS number 560-95-2 and the molecular formula CBrN3O6 and a molecular weight of 228.9 g/mol. Synonyms include Bromotrinitromethane and Bromopicrin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 228.89705 g/mol.
What are the applications of Bromotrinitromethane?
Bromotrinitromethane is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Bromotrinitromethane?
You can request a quote for Bromotrinitromethane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bromotrinitromethane?
Yes, CoreyChem provides custom synthesis services for Bromotrinitromethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.