溴杀灵
TL;DR: 溴杀灵 (CAS 63333-35-7) is a chemical compound with molecular formula C14H7Br3F3N3O4 and molecular weight 574.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴杀灵
N-methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)aniline
Also Known As: Bromethalin, Bromethaline, Vengeance, Bromethalin Bait, Gold crest vengeance
| Molecular Formula | C14H7Br3F3N3O4 |
|---|---|
| Molecular Weight | 574.79 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 576.7918 |
| Heavy Atoms | 27 |
| Complexity | 563.0 |
| Melting Point | 150-151 °C |
| Density | Bulk density: 2.169 g/mL at 23 °C |
| Solubility | In water, <0.01 mg/L |
| Vapor Pressure | 0.0000001 [mmHg] |
Chemical Identifiers
| CAS Number | 63333-35-7 |
|---|---|
| SMILES | CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F)C2=C(C=C(C=C2Br)Br)Br |
| InChIKey | USMZPYXTVKAYST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴杀灵 (CAS 63333-35-7), with molecular formula C14H7Br3F3N3O4 and molecular weight 574.79 g/mol. IUPAC: N-methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)aniline.
Chemical Property Profile of 溴杀灵
Property Insights of 溴杀灵
The XLogP value of 6.2 indicates that 溴杀灵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 溴杀灵. Following Lipinski's Rule of Five, 溴杀灵 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 溴杀灵?
The CAS number of 溴杀灵 is 63333-35-7.
What is the molecular formula of 溴杀灵?
The molecular formula of 溴杀灵 is C14H7Br3F3N3O4.
What is the molecular weight of 溴杀灵?
The molecular weight of 溴杀灵 is 574.79 g/mol.
Where can I buy 溴杀灵?
You can request a quote for 溴杀灵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴杀灵?
Yes, KEHONG BIO provides custom synthesis services for 溴杀灵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.