ChemicalBook--->CAS DataBase List--->130000-40-7

130000-40-7

130000-40-7 Structure

130000-40-7 Structure
IdentificationBack Directory
[Name]

THIFLUZAMIDE
[CAS]

130000-40-7
[Synonyms]

Pulsor
Greatam
Granual
MON 2400
mon24000
RH 130753
trifuzamide
THIFLUZAMIDE
Thifluzamide [iso]
THIFLUZAMIDE STANDARD
Cooling taste agent ws-3
thifluzamide (bsi,iso,ansi)
Thiuzamide, 10 μg /μL in acetonitrile
2',6'-diobromo-2-methyl-4'-trifluoromethyox-4-trifluoromethyl-1,3-thiazole-5-carboxanilide
N-(2,6-Dibromo-4-(trifluoromethoxy)phenyl)-2-methyl-4-(trifluoromethyl)thiazole-5-carboxamide
5-Thiazolecarboxamide, N-(2,6-dibromo-4-(trifluoromethoxy)phenyl)-2-methyl-4-(trifluoromethyl)-
[EINECS(EC#)]

1592732-453-0
[Molecular Formula]

C13H6Br2F6N2O2S
[MDL Number]

MFCD03428071
[MOL File]

130000-40-7.mol
[Molecular Weight]

528.06
Chemical PropertiesBack Directory
[Melting point ]

178℃
[Boiling point ]

375.9±42.0 °C(Predicted)
[density ]

1.930
[storage temp. ]

0-6°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

8.24±0.70(Predicted)
[color ]

White to Gray to Red
[Henry's Law Constant]

1.2×106 mol/(m3Pa) at 25℃, Ebert et al. (2023)
[Major Application]

agriculture
environmental
[InChI]

InChI=1S/C13H6Br2F6N2O2S/c1-4-22-10(12(16,17)18)9(26-4)11(24)23-8-6(14)2-5(3-7(8)15)25-13(19,20)21/h2-3H,1H3,(H,23,24)
[InChIKey]

WOSNCVAPUOFXEH-UHFFFAOYSA-N
[SMILES]

S1C(C(NC2=C(Br)C=C(OC(F)(F)F)C=C2Br)=O)=C(C(F)(F)F)N=C1C
[CAS DataBase Reference]

130000-40-7
[EPA Substance Registry System]

5-Thiazolecarboxamide, N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)- (130000-40-7)
Hazard InformationBack Directory
[Definition]

ChEBI: An aromatic amide obtained by formal condensation of the carboxy group of 2-methyl-4-(trifluoromethyl)thiazole-5-carboxylic acid with the amino group of 2,6-dibromo-4-(trifluoromethoxy)aniline. Used to control Rhizoctonia spp. diseases on rice potatoes, maize, grass and other crops.
[Chemical Properties]

The pure product is a white powdery solid with mp of 177.9-178.6℃, a solubility of 1.6 mg/L in water at 20℃, a distribution coefficient of 4.1, and is stable at pH 5-9.
[Uses]

Thifluzamide is a fungicide found in cereals, vegetables and fruits; A succinate dehydrogenase inhibitor.
[Production Methods]

The industrial production of thifluzamide begins with the preparation of a substituted aniline derivative, which undergoes selective bromination and trifluoromethoxylation to form a highly halogenated aromatic intermediate. This is then coupled with a thiazolecarboxylic acid derivative via amide bond formation, yielding the final compound.
[Mechanism of action]

Systemic, absorbed by roots and translocated, inhibits succinate dehydrogenase in the tricarboxylic acid cycle
[storage]

Store at -20°C
[Pesticide Type]

Fungicide
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Warning
[Hazard statements ]

H410
[Precautionary statements ]

P273-P391-P501
[Hazard Codes ]

N
[Risk Statements ]

50/53
[Safety Statements ]

60-61
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29341000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl 4,4,4-trifluoroacetoacetate-->4-Aminophenol-->2,6-Dibromo-4-(trifluoromethoxy)aniline
Spectrum DetailBack Directory
[Spectrum Detail]

THIFLUZAMIDE(130000-40-7)1HNMR
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