Basic information
- CAS
139528-85-1- Standard SMILES
COc1cc(OC)n2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nc2n1- InChIKey
VGHPMIFEKOFHHQ-UHFFFAOYSA-N- Molecular formula
- C14H13Cl2N5O4S
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 417.00653026
Overview
Metosulam is a sulfonamide.
Names & identifiers
- Preferred name
- Metosulam
- IUPAC
- N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
- English name
- METOSULAM
- Molecular formula
- C14H13Cl2N5O4S
- Molecular weight
- 418.26
Names & synonyms
Metosulam139528-85-1TACCON-(2,6-Dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide38SY84A64XDE-511DTXSID9047544N-(2,6-Dichloro-3-methylphenyl)-5,7-dimethoxy-1,2,4-triazolo-(1,5a)-pyrimidine-2-sulfonamide(1,2,4)Triazolo(1,5-a)pyrimidine-2-sulfonamide, N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]Triazolo[1,5-a]pyrimidine-2-sulfonamide, N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-(1,2,4)triazolo(1,5-a)pyrimidine-2-sulfonamideRefChem:158394
Show more names
SINALUptakeDE 511SANSACPRONTOMetosulam 10.0 μg/ml AcetonitrileMetosulam 10 μg/mL in AcetonitrileMetosulam@100 μg/mL in Acetonitrile
DTXCID7027544410-240-1604-145-6Metosulam [ISO]N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamideC14H13Cl2N5O4SUNII-38SY84A64XN-(2,6-DICHLORO-3-METHYLPHENYL)-5,7-DIMETHOXY(1,2,4)TRIAZOLO(1,5-A)PYRIMIDINE-2-SULFONAMIDE
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 594
Experimental & physicochemical properties
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
Herbicides
Environmental transformation -> Pesticides (parent, predecessor)
LogP
3.08
2.46
Solubility0.2 mg/mL at 20 °C
Melting Point224 - 226 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 211 ℃ · 211℃
- Density
- 1.66 · 1.66
- storage temp.
- 0 · 0-6°C
- pka
- 4.28 · 4.28±0.50(Predicted)
- Henry's Law Constant
- 1.2 · 1.2×1012 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- Major Application
- agricultureenvironmental
Safety & regulation
GHS classification
GHS Classification
Warning
H351: Suspected of causing cancer [Warning Carcinogenicity]
P203, P260, P273, P280, P318, P319, P391, P405, and P501 (click each P-code to see the statement)
Warning
H351 (43.3%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P260, P273, P280, P318, P319, P391, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Commission Regulation (EC) No 1490/2002
2010/91/EU, Reg. (EU) 2022/801, Reg. (EU) No 540/2011
REACH registered substance: Metosulam (EC: 410-240-1)
Hazard Classes and Categories
Carc. 2 (43.3%)
Carc. 2 (100%)
Carcinogenicity - category 2
Carc. 2
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- WGK 2
- ridadr
- UN3077 9/PG 3
- risk_code
- 50
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS09
- hazard_code
- N
- safety_code
- 60-61
- Storage Class
- 11 - Combustible Solids
- target organs
- Kidney,Eyes
- Hazard statements
- H351-H373-H410
- REACH Registrations
- Inactive
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Carc. 2STOT RE 2
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Environmental transformation -> Pesticides (parent, predecessor)
Herbicides
Applications
UsesMetosulam is a novel and efficient triazolopyrimidine sulfonamide herbicide, acetolactase (ALS enzyme) inhibitor.It can be used to control a variety of broadleaf weeds in cereals and corn fields, and the dosage per hectare is 15g of active ingredients.
Upstream & downstream products
Upstream raw materials
Suppliers22 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]
Syntechem Co.,Ltd[email protected]
Related reactions
3 records
Compound notes
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