Triafamone
Basic information
- CAS
874195-61-6- Standard SMILES
COc1nc(OC)nc(C(=O)c2cccc(F)c2N(C)S(=O)(=O)C(F)F)n1- InChIKey
GBHVIWKSEHWFDD-UHFFFAOYSA-N- Molecular formula
- C14H13F3N4O5S
- Average molar mass
- 406.34 g/mol
- Monoisotopic mass
- 406.05587519
Overview
Triafamone is a methoxy-1,3,5-triazine that is 1,3,5-triazine substituted by 2-{[(difluoromethyl)sulfonyl](methyl)amino}-3-fluorobenzoyl, methoxy and methoxy groups at positions 2, 4, and 6, respectively. It is a herbicide developed by Bayer CropScience AG for weed control in rice and its mode of action is inhibition of the enzyme acetolactate synthase. It has a role as an EC 2.2.1.6 (acetolactate synthase) inhibitor, a herbicide and an agrochemical. It is a sulfonamide, an organofluorine compound, a methoxy-1,3,5-triazine, a diether, an aromatic ketone and a member of monofluorobenzenes.
Names & identifiers
- Preferred name
- Triafamone
- IUPAC
- N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide
- English name
- Triafamone
- Molecular formula
- C14H13F3N4O5S
- Molecular weight
- 406.34
Names & synonyms
Triafamone874195-61-6XP2XGZ5MXO2'-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbonyl)-1,1,6'-trifluoro-N-methylmethanesulfonanilideDTXSID702363392'-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbonyl]-1,1,6'-trifluoro-N-methylmethanesulfonanilideRefChem:190817DTXCID101323472620-056-5Triafamone [ISO]UNII-XP2XGZ5MXOBCS-BX60309
Show more names
BCSBX60309BCS BX60309Triafamone in AcetonitrileTriafamone 100 μg/mL in AcetonitrileTRIAFAMONE, PESTANAL(R), ANALYTICAL STANDARDMethanesulfonamide, N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbonyl]-6-fluorophenyl]-1,1-difluoro-N-methyl-
AE 1887196EC 620-056-5N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamideN-(2-((4,6-dimethoxy-1,3,5-triazin-2-yl)carbonyl)-6-fluorophenyl)-1,1-difluoro-N-methylmethanesulfonamideN-(2-(4,6-Dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl)-1,1-difluoro-N-methylmethanesulfonamideN-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbonyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamideN-{2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbonyl]-6-fluorophenyl}-1,1-difluoro-N-methylmethanesulfonamideorb1695011
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 608
Physicochemical properties
- Boiling point
- 549.1 · 549.1±60.0 °C(Predicted)
- Density
- 1.506 · 1.506±0.06 g/cm3(Predicted)
- vapor pressure
- 0 · 0-0Pa at 20-50℃
- form
- Powder
- pka
- -0.19 · -0.19±0.10(Predicted)
- Henry's Law Constant
- 8.2 · 8.2×103 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- Major Application
- agricultureenvironmental
- LogP
- 1.5 · 1.5-1.6 at 22-23℃ and pH4-9
- Surface tension
- 71.23 mN/m · 71.23mN/m at 40mg/L and 20℃
- FDA UNII
- 2 XGZ5MXO · XP2XGZ5MXO
- UNSPSC Code
- 77101502 · 77101502
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 8 · GHS08,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H373
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H373 (94.4%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P273, P319, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 18 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: N-{2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbonyl]-6-fluorophenyl}-1,1-difluoro-N-methylmethanesulfonamide (EC: 620-056-5)
Hazard Classes and CategoriesSTOT RE 2 (94.4%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS09
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H410-H373
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- Precautionary statements
- P260-P314-P501-P273-P391-P501
Chemistry & industry
Applications
DescriptionTriafamone is a new sulfonamide herbicide with a mode of action that inhibits acetolactate synthase (ALS).
UsesTriafamone is a herbicide for weed control in agriculture.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…