Bromophos
TL;DR: Bromophos (CAS 2104-96-3) is a chemical compound with molecular formula C8H8BrCl2O3PS and molecular weight 363.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2,5-dichlorophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Bromofos, BROMOPHOS, Bromophos-methyl, Nexion, Bromovur
| Molecular Formula | C8H8BrCl2O3PS |
|---|---|
| Molecular Weight | 363.85 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.8492 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
| Melting Point | 53-54 °C |
| Boiling Point | 140-142 °C at 0.01 mm Hg |
| Solubility | Sol on most organic solvents such as diethyl ether; slightly sol in low molecular weight alcohols. |
| Vapor Pressure | 0.00013 [mmHg] |
Chemical Identifiers
| CAS Number | 2104-96-3 |
|---|---|
| SMILES | COP(=S)(OC)OC1=CC(=C(C=C1Cl)Br)Cl |
| InChIKey | NYQDCVLCJXRDSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromophos (CAS 2104-96-3), with molecular formula C8H8BrCl2O3PS and molecular weight 363.85 g/mol. IUPAC: (4-bromo-2,5-dichlorophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Bromophos
Property Insights of Bromophos
The XLogP value of 5.2 indicates that Bromophos is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, Bromophos exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromophos has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bromophos?
The CAS number of Bromophos is 2104-96-3.
What is the molecular formula of Bromophos?
The molecular formula of Bromophos is C8H8BrCl2O3PS.
What is the molecular weight of Bromophos?
The molecular weight of Bromophos is 363.85 g/mol.
Where can I buy Bromophos?
You can request a quote for Bromophos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromophos?
Yes, KEHONG BIO provides custom synthesis services for Bromophos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.