HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methiocarb sulfoxide
bay41791 · ent25824 · bayer41791 · mesurolsulfoxide · bay37344sulfoxide · Methicarb-sulfoxide · Methiocarb sulfoxide · Methiocarb Sulfoxide-D3
Identifiers & Physical Properties
| CAS No. | 2635-10-1 |
|---|---|
| Molecular formula | C11H15NO3S |
| Average molar mass | 241.31 g/mol |
| Monoisotopic mass | 241.07726451 g/mol |
| SMILES | CNC(=O)Oc1cc(C)c(S(C)=O)c(C)c1 |
| InChIKey | FNCMBMZOZQAWJA-UHFFFAOYSA-N |
| PubChem CID | 17521 |
| ChEBI | CHEBI:83542 |
| EC No. | 624-354-6 |
| DTXSID | DTXSID8042139 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 74.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 270 |
| Pesticides | Pesticides -> Transformation productsEnvironmental transformation -> Pesticide transformation products (metabolite, successor)Pesticide (Methiocarb sulfoxide) -> USDA PDB |
| Ionization Efficiency | Positive2.482.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Collision Cross Section | 154.16 Ų [M+Na]+ |
| Boiling point | 399.0±42.0 °C(Predicted) |
| Density | 1.25±0.1 g/cm3(Predicted) |
| Storage conditions | 0-6°C |
| Solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| pKa (acidity coefficient) | 12.03±0.46(Predicted) |
| Stability | Hygroscopic |
| Major applications | agricultureenvironmental |
| InChI | 1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13) |
| InChIKey | FNCMBMZOZQAWJA-UHFFFAOYSA-N |
| SMILES | CNC(=O)Oc1cc(C)c(c(C)c1)S(C)=O |
| FDA UNII | S9303L7A4D |
| EPA Substance Registry System | Methiocarb sulfoxide (2635-10-1) |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| GHS pictogram | GHS06,GHS09 |
| Signal word | Danger |
| GHS hazard statements | H300-H400 |
| GHS precautionary statements | P273-P301+P310+P330 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
| Hazard symbols | T,N |
| Risk statements (R) | 25-50/53 |
| Safety statements (S) | 45-60-61 |
| UN transport number | 2757 |
| Water hazard class (WGK) | 3 |
| RTECS number | FC5075000 |
| Hazard class | 6.1(b)Acute Tox. 2 OralAquatic Acute 1 |
| Packing group | III |
| Storage class | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.DangerH300 (92.9%): Fatal if swallowed [Danger Acute toxicity, oral]P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 2 (92.9%) |
| Treatment | If the compound has been ingested, rapid gastric lavage should be performed using 5% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of '-oximes' has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally. |
| Health effects | Acute exposure to cholinesterase inhibitors can cause a cholinergic crisis characterized by severe nausea/vomiting, salivation, sweating, bradycardia, hypotension, collapse, and convulsions. Increasing muscle weakness is a possibility and may result in death if respiratory muscles are involved. Accumulation of ACh at motor nerves causes overstimulation of nicotinic expression at the neuromuscular junction. When this occurs symptoms such as muscle weakness, fatigue, muscle cramps, fasciculation, and paralysis can be seen. When there is an accumulation of ACh at autonomic ganglia this causes overstimulation of nicotinic expression in the sympathetic system. Symptoms associated with this are hypertension, and hypoglycemia. Overstimulation of nicotinic acetylcholine receptors in the central nervous system, due to accumulation of ACh, results in anxiety, headache, convulsions, ataxia, depression of respiration and circulation, tremor, general weakness, and potentially coma. When there is expression of muscarinic overstimulation due to excess acetylcholine at muscarinic acetylcholine receptors symptoms of visual disturbances, tightness in chest, wheezing due to bronchoconstriction, increased bronchial secretions, increased salivation, lacrimation, sweating, peristalsis, and urination can occur. Chronically high (>10 years) exposure leads to neuropsychological consequences including disturbances in perception and visuo-motor processing (A15321). |
Applications & Uses
Uses
Methiocarb Sulfoxide acts as a pesticide which is used in the protection of crops from insects and fungus.