二溴磷
TL;DR: 二溴磷 (CAS 300-76-5) is a chemical compound with molecular formula C4H7Br2Cl2O4P and molecular weight 377.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二溴磷
(1,2-dibromo-2,2-dichloroethyl) dimethyl phosphate
Also Known As: naled, Dibrom, Bromchlophos, Bromex, Dibromfos
| Molecular Formula | C4H7Br2Cl2O4P |
|---|---|
| Molecular Weight | 377.78 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.78052 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
| Melting Point | 27.0 °C |
| Boiling Point | 200.0 °C at 760 mmHg approx. |
| Density | 1.97 at 20.0 °C |
| Solubility | Insoluble (NIOSH, 2024) |
| Vapor Pressure | 0.0002 mmHg |
| Refractive Index | 1.5108 at 28 °C |
Chemical Identifiers
| CAS Number | 300-76-5 |
|---|---|
| SMILES | COP(=O)(OC)OC(C(Cl)(Cl)Br)Br |
| InChIKey | BUYMVQAILCEWRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二溴磷 (CAS 300-76-5), with molecular formula C4H7Br2Cl2O4P and molecular weight 377.78 g/mol. IUPAC: (1,2-dibromo-2,2-dichloroethyl) dimethyl phosphate.
Chemical Property Profile of 二溴磷
Property Insights of 二溴磷
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二溴磷. With a topological polar surface area (TPSA) of 44.8 Ų, 二溴磷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二溴磷 has 0 hydrogen bond donor(s) and 4 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 二溴磷?
The CAS number of 二溴磷 is 300-76-5.
What is the molecular formula of 二溴磷?
The molecular formula of 二溴磷 is C4H7Br2Cl2O4P.
What is the molecular weight of 二溴磷?
The molecular weight of 二溴磷 is 377.78 g/mol.
Where can I buy 二溴磷?
You can request a quote for 二溴磷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二溴磷?
Yes, KEHONG BIO provides custom synthesis services for 二溴磷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.