CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; [HSDB] Yellowish liquid with a stench; [MSDSonline] |
|---|---|
| Color/Form | Colorless liquid. |
| Boiling Point | 175-177 °C/0.85 mm Hg |
| Solubility | Soluble in most organic solvents. |
| Density | 1.1504 @ 20 °C |
| Vapor Pressure | 0.0000009 [mmHg] |
| LogP | log Kow =3.67 |
| Stability/Shelf Life | Stable <230 °C; stable in neutral and acidic media, but is slowly decomposed in alkaline media. |
| Kovats Retention Index | 2047 2045 2070 2075 |
| Chemical Classes | Pesticides -> Organophosphate Insecticides |
COMPUTED DESCRIPTORS
| Molecular Weight | 304.34 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 304.08981732 g/mol |
| Monoisotopic Mass | 304.08981732 g/mol |
| Topological Polar Surface Area | 70.1 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 268 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Propaphos is an organophosphate insecticide and a dialkyl aryl phosphate. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an agrochemical. It is functionally related to a 4-(methylsulfanyl)phenol.