Azimsulfuron
dpx47 · a8947 · Expret · JS 458 · In-A 894 · GULLIVER · in-a8947 · dpx-a8947
Identifiers & Physical Properties
| CAS No. | 120162-55-2 |
|---|---|
| Molecular formula | C13H16N10O5S |
| Average molar mass | 424.4 g/mol |
| Monoisotopic mass | 424.10258461 g/mol |
| SMILES | COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1 |
| InChIKey | MAHPNPYYQAIOJN-UHFFFAOYSA-N |
| PubChem CID | 86355 |
| ChEBI | CHEBI:81746 |
| EC No. | 601-676-5 |
| DTXSID | DTXSID8041614 |
Chemical & Physical Properties
| XLogP | 0.3 |
|---|---|
| Topological polar surface area | 189 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 11 |
| Rotatable bonds | 6 |
| Heavy atoms | 29 |
| Formal charge | 0 |
| Complexity | 665 |
| Pesticides | Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: Not approvedPesticide (Azimsulfuron) -> USDA PDB |
| LogP (partition coefficient) | 0.65 |
| Solubility | 1050 mg/L @ 20 °C (exp)Solubility in organic solvents (g/l at 25 °C) Acetone 26.4 Acetonitrile 13.9 Ethyl acetate 13.0 Dichloromethane 65.9 n‐Hexane <0.2 Methanol 2.1 Toluene 1.8Solubility in water (g/l at 20 °C): 0.072 (pH 5) 1.050 (pH 7) 6.536 (pH 9). |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Melting point | 170 °C170° |
| Physical Description | Solid |
| Density | 1.74±0.1 g/cm3(Predicted) |
| Storage conditions | Sealed in dry,2-8°C |
| Physical state | Solid |
| pKa (acidity coefficient) | 3.6(at 25℃) |
| Color | White to Off-White |
| BRN | 8284859 |
| Henry's law constant | 2.0×109 mol/(m3Pa) at 25℃, Maniere et al. (2011) |
| Major applications | agricultureenvironmental |
| InChI | 1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24) |
| InChIKey | MAHPNPYYQAIOJN-UHFFFAOYSA-N |
| SMILES | COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(cnn2C)-c3nnn(C)n3)n1 |
| LogP (partition coefficient) | 0.650 |
| CAS DataBase Reference | 120162-55-2(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | R959I3139C |
| EPA Substance Registry System | Azimsulfuron (120162-55-2) |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| GHS pictogram | GHS09 |
| Signal word | Warning |
| GHS hazard statements | H410 |
| GHS precautionary statements | P273 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | N |
| Risk statements (R) | 50/53 |
| Safety statements (S) | 60-61 |
| UN transport number | UN 3077 9 / PGIII |
| Water hazard class (WGK) | WGK 2 |
| Customs code | 29350090 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Aquatic Acute 1Aquatic Chronic 1 |
| Toxicity | LD50 in rats, bobwhite quail, mallard duck (mg/kg): >5000, >2250, >2250 orallyin rats (mg/kg): >2000 dermally (Marquez)LC50 (96 hr) in carp, bluegill sunfish, rainbow trout (ppm): >300, >1000, 154 (Marquez) |
Safety & Regulations
| GHS classification | WarningH400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
|---|---|
| Regulatory information | Commission Regulation (EC) No 737/20071999/80/EC, 2007/21/EC, 2010/54/EU, Reg. (EU) 2022/801, Reg. (EU) No 540/2011, Reg. (EU) No 704/2011 |
| Hazard Classes and Categories | Aquatic Acute 1 (100%)Hazardous to the aquatic environment (acute) - category 1 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | WGK 2 |
| UN transport number | UN 3077 9 / PGIII |
| Customs code | 29350090 |
| Toxicity | LD50 in rats, bobwhite quail, mallard duck (mg/kg): >5000, >2250, >2250 orallyin rats (mg/kg): >2000 dermally (Marquez)LC50 (96 hr) in carp, bluegill sunfish, rainbow trout (ppm): >300, >1000, 154 (Marquez) |
| Risk statements (R) | 50/53 |
| Signal word | Warning |
| GHS pictogram | GHS09 |
| Hazard symbols | N |
| Safety statements (S) | 60-61 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H410 |
| Hazard class | Aquatic Acute 1Aquatic Chronic 1 |
| GHS precautionary statements | P273 |
Applications & Uses
Description
A sulfonylurea herbicide for the control of a range of broadleaved and sedge weeds in paddy fields and other crops. It is highly soluble in water, semi-volatile and, based on its physico-chemical properties, appears to have potential for leaching to groundwater. It is not expected to be persistent in the field but can be persistent in water systems. It has a low mammalian toxicity but has high potential for bioaccumulation. No adverse health effects have been identified. Azimsulfuron is moderately toxic to algae, honeybees and earthworms but less so to birds and fish.
Uses
Herbicide.
Uses
Azimsulfuron may be used as an analytical reference standard for the determination of the pesticide in:Paddy field water by direct injection using liquid chromatography-hybrid triple quadrupole-linear ion trap-mass spectrometry (LC-QqLIT-MS).Tap and leaching water samples by solid-phase extraction (SPE), followed by LC coupled to tandem mass spectrometry (LC-MS/MS).
General Description
Azimsulfuron is a sulfonylurea based pesticide.