23560-59-0
Product Name:
HEPTENOPHOS
Formula:
C9H12ClO4P
Synonyms:
7-Chlorobicyclo[3.2.0]hepta-2,6-dien-6-yl dimethyl phosphate
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pale amber liquid; [Merck Index] Brown liquid; [MSDSonline] |
|---|---|
| Color/Form | Light brown liquid... . |
| Odor | ...Odor typical of a phosphate ester. |
| Boiling Point | 64 °C/0.075 mm Hg |
| Melting Point | < 25 °C |
| Flash Point | 165 °C (Cleveland, open); 152 °C (Pensky-Martens, closed) |
| Solubility | Readily miscible with most organic solvents, e.g. in acetone, methanol, xylene >1, hexane 0.13 (all in kg/l, 25 °C). |
| Density | 1.28 (20 °C) |
| Vapor Pressure | 0.00075 [mmHg] |
| LogP | log Kow =2.32 |
| Stability/Shelf Life | Hydrolysed in acidic and alkaline media. |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen chloride and phosphorus oxides/. |
| Collision Cross Section | 144.04 Ų [M+H]+ [CCS Type: TW] |
| Kovats Retention Index | 1529 1539 1541 1551.9 1559.8 1574.8 1563.4 |
| Chemical Classes | Pesticides -> Organophosphate Insecticides |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H312:Acute toxicity,dermal H330:Acute toxicity,inhalation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 250.61 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 250.0161736 g/mol |
| Monoisotopic Mass | 250.0161736 g/mol |
| Topological Polar Surface Area | 44.8 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 368 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Heptenophos is a trialkyl phosphate, an organophosphate insecticide and an organochlorine compound. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide and an agrochemical. It derives from a hydride of a bicyclo[3.2.0]hepta-2,6-diene.