Basic information
- CAS
74222-97-2- Standard SMILES
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1- InChIKey
ZDXMLEQEMNLCQG-UHFFFAOYSA-N- Molecular formula
- C15H16N4O5S
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.0841408
Names & identifiers
- Preferred name
- Sulfometuron-methyl
- IUPAC
- methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate
- English name
- Sulfometuron-methyl
- Molecular formula
- C15H16N4O5S
- Molecular weight
- 364.38
Names & synonyms
sulfometuron-methylSULFOMETURON METHYL74222-97-2OUSTDTXSID0034936methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoateJLY5D60J1ADPX-5648CHEBI:9348DTXCID8014936Benzoic acid, 2-(((((4,6-dimethyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl esterBenzoic acid, 2-[[[[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-, methyl ester
Show more names
aa5648Oust[R]dpx5648Oust 75DFOust(Du Pont)Sulfometuron-msulfometuron-me
methyl 2-((4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl)benzoateRefChem:889579277-780-6DPX-T5648Sulfometuron methyl esterCaswell No. 561DAa 5648Sulfometuron-methyl [ISO]
Database identifiers
- CAS
74222-97-2- PubChem CID
- 52997
- DTXSID
DTXSID0034936- ChEMBL
CHEMBL513261- ChEBI
CHEBI:9348- UNII
- JLY5D60J1A
- EC Number
- 277-780-6
- Nikkaji
- J21.691G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 581
Physicochemical properties
- Melting point
- 203 · 203-205°C
- Boiling point
- 197 °C · 197°C (rough estimate)
- Density
- 1.48 · 1.48
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 5.7 · 5.7(at 25℃)
- Henry's Law Constant
- 8.2 · 8.2×1012 mol/(m3Pa) at 25℃, Armbrust (2000)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)
- InChIKey
- ZDXMLEQEMNLCQG-UHFFFAOYSA-N
- SMILES
- COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2
- CAS DataBase Reference
- 74222 · 74222-97-2(CAS DataBase Reference)
- FDA UNII
- 5 D60J1A · JLY5D60J1A
- EPA Substance Registry System
- Sulfometuron methyl (74222-97-2)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
- PPE
- Eyeshields, Gloves
- Hazard Codes
- N
- Risk Statements
- 50 · 50
- Safety Statements
- 61 · 61
- RIDADR
- 3077 · UN3077 9/PG 3
- WGK Germany
- 2 · 2
- RTECS
- 9096550 · DG9096550
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 · Aquatic Acute 1
- Hazardous Substances Data
- 74222 · 74222-97-2(Hazardous Substances Data)
- Toxicity
- 50 in · LD50 in male, female rats (mg/kg): >5000, >5000 orally (Harding)
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 2
- rtecs
- DG9096550
- ridadr
- UN3077 9/PG 3
- Toxicity
- LD50 in male, female rats (mg/kg): >5000, >5000 orally (Harding)
- risk_code
- 50
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H400
- Hazard Classifications
- Aquatic Acute 1
- Precautionary statements
- P273-P391-P501
- Hazardous Substances Data
- 74222-97-2(Hazardous Substances Data)
Chemistry & industry
Applications
DescriptionSulfometuron-methyl is a herbicide. It has a moderate aqueous solubility, is non-volatile and, based on its chemical properties, is mobile and may be expected to leach to groundwater. It is not generally persistent in soil systems but may be persistent in aquatic systems under certain conditions. It has a low mammalian toxicity and has a high potential to bioaccumulate. It is moderately toxic to most aquatic species, honeybees and earthworms but is less toxic to birds.
UsesMetsulfuron-methyl is a sulfonylurea herbicide that inhibits the synthesis of branched-chain amino acids, thereby inhibiting cell division at the growing tips of plants, preventing the growth of weeds, and leading to chlorosis and necrosis. It is suitable for the control of annual and perennial grass weeds and broadleaf weeds in forestry.
Preparation methods
PreparationSulfometuron-methyl is produced by reaction of 2-sulfonylisocyanate methylbenzoate with 2-amino-4,6-dimethylpyrimidine.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北博杰生物科技有限公司0713-2060728 15629612610
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杭州品高化工有限公司0571-87658025 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
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湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
上海艾梯西生物科技有限公司18721763493
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
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上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
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常州百涛实业有限公司0519-82309982
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
湖北赛恩斯化工有限公司15994282563 15994282563 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
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武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
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广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
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湖北美钡新材料有限公司18271819653 · [email protected]
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南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
湖北猫尔沃生物医药有限公司[email protected]
Additional notes
DefinitionChEBI: Sulfometuron methyl is a benzoate ester that is the methyl ester of 2-{[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoic acid. It has a role as a herbicide and an EC 2.2.1.6 (acetolactate synthase) inhibitor. It is a member of pyrimidines, a benzoate ester and a N-sulfonylurea. It is functionally related to a sulfometuron.
Related reactions
36 records
Compound notes
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