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126535-15-7

126535-15-7 Structure

126535-15-7 Structure
IdentificationMore
[Name]

Triflusulfuron-methyl
[CAS]

126535-15-7
[Synonyms]

DEBUT
METHYL 2-[4-(DIMETHYLAMINO)-6-(2,2,2-TRIFLUOROETHOXY)-1,3,5-TRIAZIN-2-YLAMINOCARBONYLAMINOSULFONYL]-3-METHYLBENZOATE
SAFARI
TRIFLUSULFURON-METHYL
UPBEET
Triflulsulfuron-methyl
Dubur
methyl 2-((4-dimethylamino-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)carbamkoylaulfamoyl)-m-methylbenzaote
methyl-2-(((4-dimethylamino-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)carbonoylaminosulfonyl)-3-methylbensoate
Upbeat
TRIFLUSULPHURONMETHYL
Methyl 2-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylaminocarbonylaminosulfonyl]-3-methylbenzoate
DPX 66037
methyl-2-[4-dimethylamino-6-(2,2,2-trifluo-roethoxy)-1,3,5-triazin-2-yl] carbamoylsulfamoyl-m-methyl benzoate
Benzoic acid, 2-[[[[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]-3-methyl-, methyl ester
[EINECS(EC#)]

603-146-9
[Molecular Formula]

C17H19F3N6O6S
[MDL Number]

MFCD03095701
[Molecular Weight]

492.43
[MOL File]

126535-15-7.mol
Chemical PropertiesBack Directory
[Melting point ]

160-163°
[density ]

1.493±0.06 g/cm3(Predicted)
[Fp ]

150 °C
[storage temp. ]

0-6°C
[form ]

neat
[pka]

4.4(at 25℃)
[BRN ]

8171352
[Major Application]

agriculture
environmental
[InChI]

InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)
[InChIKey]

IMEVJVISCHQJRM-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=CC=CC(C)=C1S(NC(NC1=NC(N(C)C)=NC(OCC(F)(F)F)=N1)=O)(=O)=O
[CAS DataBase Reference]

126535-15-7(CAS DataBase Reference)
[EPA Substance Registry System]

126535-15-7(EPA Substance)
Safety DataBack Directory
[WGK Germany ]

1
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Carc. 2
[Toxicity]

LD50 orally in rats: >5000 mg/kg; dermally in rabbits: >2000 mg/kg (Peeples)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methyl 2-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylaminocarbonylaminosulfonyl]-3-methylbenzoate(126535-15-7).msds
Hazard InformationBack Directory
[Chemical Properties]

This product has an mp of 160-163°C and a dissociation constant (pKa) of 4.4. Its solubility in water at 25°C is 1 mg/L (pH=3), 3 mg/L (pH=5), 110 mg/L (pH=7), and 11,000 mg/L (pH=9). Its partition coefficient is 9.2. Its half-life in water at 25°C is 3.7 days (pH=5), 32 days (pH=7), and 36 days (pH=9). It degrades rapidly in soil, primarily through microbial degradation under alkaline conditions and chemical hydrolysis under neutral and acidic conditions. Under laboratory conditions, its half-life in soil is 3-6 days.
[Uses]

Herbicide.
[Definition]

ChEBI: Triflusulfuron-methyl is a methyl ester resulting from the formal condensation of the carboxy group of triflusulfuron with methanol. A proherbicide for triflusulfuron. It has a role as a proherbicide, an agrochemical and an EC 2.2.1.6 (acetolactate synthase) inhibitor. It is a benzoate ester, a methyl ester, a N-sulfonylurea, a member of 1,3,5-triazines, a tertiary amino compound, an aromatic ether and an organofluorine compound. It is functionally related to a triflusulfuron.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

126535-15-7(sigmaaldrich)
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