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Basic information
- Standard SMILES
COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1- InChIKey
MAHPNPYYQAIOJN-UHFFFAOYSA-N- Molecular formula
- C13H16N10O5S
- Average molar mass
- 424.403 g/mol
- Monoisotopic mass
- 424.10258461
Names & identifiers
- Preferred name
- Azimsulfuron
- IUPAC
- N-[(4,6-Dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide
- English name
- Azimsulfuron
- Molecular formula
- C13H16N10O5S
- Molecular weight
- 424.4
Names & synonyms
Database identifiers
- CAS
120162-55-2- PubChem CID
- 86355
- DTXSID
DTXSID8041614- ChEBI
CHEBI:81746- UNII
- R959I3139C
- EC Number
- 601-676-5
- Nikkaji
- J668.740G
Properties
Physicochemical properties
- Melting point
- 170 ° · 170°
- Density
- 1.74 · 1.74±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- 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 1.8
- form
- Solid
- pka
- 3.6 · 3.6(at 25℃)
- color
- White to Off-White
- Water Solubility
- Solubility in water (g/l at 20 °C): 0.072 (pH 5) 1.050 (pH 7) 6.536 (pH 9).
- BRN
- 8284859 · 8284859
- Henry's Law Constant
- 2 · 2.0×109 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- Major Application
- 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
- 0.65 · 0.650
- CAS DataBase Reference
- 120162 · 120162-55-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 959 I3139C · R959I3139C
- EPA Substance Registry System
- Azimsulfuron (120162-55-2)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- N
- Risk Statements
- 50 · 50/53
- Safety Statements
- 60 · 60-61
- RIDADR
- 3077 · UN 3077 9 / PGIII
- WGK Germany
- 2 · WGK 2
- HS Code
- 29350090 · 29350090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1
- Toxicity
- 50 in · LD50 in rats, bobwhite quail, mallard duck (mg/kg): >5000, >2250, >2250 orally; in rats (mg/kg): >2000 dermally (Marquez); LC50 (96 hr) in carp, bluegill sunfish, rainbow trout (ppm): >300, >1000, 154 (Marquez)
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- WGK 2
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 29350090
- Toxicity
- LD50 in rats, bobwhite quail, mallard duck (mg/kg): >5000, >2250, >2250 orally; in rats (mg/kg): >2000 dermally (Marquez); LC50 (96 hr) in carp, bluegill sunfish, rainbow trout (ppm): >300, >1000, 154 (Marquez)
- risk_code
- 50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 60-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- Precautionary statements
- P273
Chemistry & industry
Applications
DescriptionA 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.
UsesHerbicide.
UsesAzimsulfuron 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 DescriptionAzimsulfuron is a sulfonylurea based pesticide.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Additional notes
DefinitionChEBI: Azimsulfuron is an N-sulfonylurea that is urea in which a nitrogen attached to one of the nitrogens has been replaced by a 4,6-dipyrimidin-2-yl group while a hydrogen attached to the other urea nitrogen has been replaced by a [1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazol-5-yl]sulfonyl group. An acetolactate synthase inhibitor, it is used as a herbicide for the control of a variety of broad-leaved and sedge weeds in paddy fields and other aquatic situations. It has a role as a herbicide and an EC 2.2.1.6 (acetolactate synthase) inhibitor. It is an aromatic ether, a biaryl, a N-sulfonylurea, a member of tetrazoles and a pyrazole pesticide.
Related reactions
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