ChemicalBook--->CAS DataBase List--->183675-82-3

183675-82-3

183675-82-3 Structure

183675-82-3 Structure
IdentificationBack Directory
[Name]

Penthiopyrad
[CAS]

183675-82-3
[Synonyms]

MTF-753
Penthiopyrad
Penthiopyrad [iso]
Penthiopyrad@100 μg/mL in Acetonitrile
Penthiopyrad@1000 μg/mL in Acetonitrile
Penthiopyrad Solution in Acetonitrile, 100μg/mL
N-[2-(1,3-Dimethylbutyl)-3-thienyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
(RS)-N-[2-(1,3-Dimethylbutyl)-3-thienyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
1H-Pyrazole-4-carboxamide, N-[2-(1,3-dimethylbutyl)-3-thienyl]-1-methyl-3-(trifluoromethyl)-
1-Ethyl-N-(2-(4-Methylpentan-2-yl)thiophen-3-yl)-3-(trifluoroMethyl)-1H-pyrazole-4-carboxaMide
[Molecular Formula]

C16H20F3N3OS
[MDL Number]

MFCD11973641
[MOL File]

183675-82-3.mol
[Molecular Weight]

359.41
Chemical PropertiesBack Directory
[Melting point ]

103-105 °C
[Boiling point ]

381.3±42.0 °C(Predicted)
[density ]

1.30±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMSO: ≥ 26 mg/mL (72.34 mM)
[form ]

neat
[pka]

12.77±0.70(Predicted)
[color ]

White to off-white
[BRN ]

11343466
[InChI]

InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)
[InChIKey]

PFFIDZXUXFLSSR-UHFFFAOYSA-N
[SMILES]

N1(C)C=C(C(NC2C=CSC=2C(C)CC(C)C)=O)C(C(F)(F)F)=N1
[EPA Substance Registry System]

1H-Pyrazole-4-carboxamide, N-[2-(1,3-dimethylbutyl)-3-thienyl]-1-methyl-3-(trifluoromethyl)- (183675-82-3)
Safety DataBack Directory
[Hazard Codes ]

N
[Risk Statements ]

51/53
[Safety Statements ]

61
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

2
Hazard InformationBack Directory
[Uses]

Penthiopyrad is a novel fungicide used in the protection of crops.
[Definition]

ChEBI:1-methyl-N-[2-(4-methylpentan-2-yl)-3-thienyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is an aromatic amide obtained by formal condensation of the carboxy group of 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid with the amino group of 2-(4-methylpentan-2-yl)thiophen-3-amine. It is an aromatic amide, an organofluorine compound, a member of pyrazoles and a member of thiophenes.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Penthiopyrad(183675-82-3)1HNMR
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