Bromopicrin
TL;DR: Bromopicrin (CAS 464-10-8) is a chemical compound with molecular formula CBr3NO2 and molecular weight 294.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tribromo(nitro)methane
Also Known As: Tribromonitromethane, Bromopicrin, Nitrobromoform, tribromo(nitro)methane, Nitrotribromomethane
| Molecular Formula | CBr3NO2 |
|---|---|
| Molecular Weight | 294.75 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 296.74588 |
| Heavy Atoms | 7 |
| Complexity | 79.0 |
| Melting Point | 10.2 °C |
| Boiling Point | 192 to 90.0 °C at 20 mmHg |
| Density | 2.793 at 20.0 °C |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| Vapor Pressure | 15 mmHg at 86.1 °C |
Chemical Identifiers
| CAS Number | 464-10-8 |
|---|---|
| SMILES | C([N+](=O)[O-])(Br)(Br)Br |
| InChIKey | QQZIUHOKWDFXEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromopicrin (CAS 464-10-8), with molecular formula CBr3NO2 and molecular weight 294.75 g/mol. IUPAC: tribromo(nitro)methane.
Chemical Property Profile of Bromopicrin
Property Insights of Bromopicrin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromopicrin. With a topological polar surface area (TPSA) of 45.8 Ų, Bromopicrin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromopicrin has 0 hydrogen bond donor(s) and 2 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 Bromopicrin?
The CAS number of Bromopicrin is 464-10-8.
What is the molecular formula of Bromopicrin?
The molecular formula of Bromopicrin is CBr3NO2.
What is the molecular weight of Bromopicrin?
The molecular weight of Bromopicrin is 294.75 g/mol.
Where can I buy Bromopicrin?
You can request a quote for Bromopicrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromopicrin?
Yes, KEHONG BIO provides custom synthesis services for Bromopicrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.