HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methoxyphenone
Methoxyphenon · NK-049 · PREMTEN · KAYAMETONE · Methoxyphenone · Brexpiprazole Impurity 121 · HEXACONAZOL PESTANAL, 100 MG · 4-METHOXY-3,3'-DIMETHYBENZOPHENONE
Identifiers & Physical Properties
| CAS No. | 41295-28-7 |
|---|---|
| Molecular formula | C16H16O2 |
| Average molar mass | 240.3 g/mol |
| Monoisotopic mass | 240.11502975 g/mol |
| SMILES | COc1ccc(C(=O)c2cccc(C)c2)cc1C |
| InChIKey | BWPYBAJTDILQPY-UHFFFAOYSA-N |
| PubChem CID | 38839 |
| ChEMBL | CHEMBL2272262 |
| ChEBI | CHEBI:82245 |
| EC No. | 255-300-6 |
| DTXSID | DTXSID80194279 |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 287 |
| Melting point | 62.25°C |
| Boiling point | 343.02°C (rough estimate) |
| Density | 1.0752 (rough estimate) |
| Refractive index | 1.6000 (estimate) |
| Storage conditions | -20°C Freezer |
| Solubility | Chloroform (Slightly), DMSO (Slightly)2mg/L(20 ºC) |
| Physical state | Solid |
| Color | White to Pale Red |
| InChI | InChI=1S/C16H16O2/c1-11-5-4-6-13(9-11)16(17)14-7-8-15(18-3)12(2)10-14/h4-10H,1-3H3 |
| InChIKey | BWPYBAJTDILQPY-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(OC)C(C)=C1)(C1=CC=CC(C)=C1)=O |
| FDA UNII | 0FKO9511Y1 |
| GHS hazard statements | H413 |
| RTECS number | PC4961000 |
| Customs code | 29143990 |
Safety & Regulations
| GHS classification | H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatory information | Chemical: Methanone, (4-methoxy-3-methylphenyl)(3-methylphenyl)- |
| Hazard Classes and Categories | Aquatic Chronic 4 (100%) |
| RTECS number | PC4961000 |
| Customs code | 29143990 |
| GHS hazard statements | H413 |
Applications & Uses
Uses
Methoxyphenone is a pesticidal compound, and it is used in preparation of Nitrones as herbicides.