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97886-45-8

97886-45-8 Structure

97886-45-8 Structure
IdentificationBack Directory
[Name]

DITHIOPYR
[CAS]

97886-45-8
[Synonyms]

DICTRAN
mon7200
mon15100
DIMENSION
DITHIOPYR
Brn 4272584
Dimension(TM)
Dithiopyr [iso]
DITHIOPYR STANDARD
Dithiopyr Reference Material
oromethyl)-,s,s-dimethylester
Dithiopyr@1000 μg/mL in Acetone
Dithiopyr @100 μg/mL in Methanol
Dithiopyr Solution in Methanol, 100μg/mL
3,5-pyridinedicarbothioicacid,2-(difluoromethyl)-4-(2-methylpropyl)-6-(triflu
S,S′-dimethyl-2-difluoromethyl-4-isobutyl-6-trifluoromethylpyridine-3,5-dicarbothioate
Dimethyl 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-3,5-pyridinedicarbothioate
S,S′-dimethyl-2-(difluoromethyl)-4-(2-kmethylpropyl)-6-(trifluoromethyl)-3,5-pyridinecarbothioate
2-(Difluoromethyl)-4-isobutyl-6-(trifluoromethyl)-3,5-pyridinebis(carbothioic acid S-methyl) ester
2-(Trifluoromethyl)-6-(difluoromethyl)-4-(2-methylpropyl)-3,5-pyridinedicarbothioic acid S,S'-dimethyl ester
3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, S,S-dimethyl ester
3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, S3,S5-dimethyl ester
[Molecular Formula]

C15H16F5NO2S2
[MDL Number]

MFCD00274588
[MOL File]

97886-45-8.mol
[Molecular Weight]

401.42
Chemical PropertiesBack Directory
[Melting point ]

65°
[Boiling point ]

460.3±45.0 °C(Predicted)
[density ]

1.3583 (estimate)
[storage temp. ]

0-6°C
[solubility ]

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

Solid
[pka]

-7.10±0.50(Predicted)
[color ]

White to Off-White
[Henry's Law Constant]

6.5×100 mol/(m3Pa) at 25℃, Ebert et al. (2023)
[InChI]

InChI=1S/C15H16F5NO2S2/c1-6(2)5-7-8(13(22)24-3)10(12(16)17)21-11(15(18,19)20)9(7)14(23)25-4/h6,12H,5H2,1-4H3
[InChIKey]

YUBJPYNSGLJZPQ-UHFFFAOYSA-N
[SMILES]

C1(CC(C)C)=C(C(=O)SC)C(=NC(C(F)(F)F)=C1C(=O)SC)C(F)F
[EPA Substance Registry System]

Dithiopyr (97886-45-8)
Safety DataBack Directory
[Hazardous Substances Data]

97886-45-8(Hazardous Substances Data)
[Toxicity]

LD50 orally in rats: >5000 mg/kg (Fujiyama, Yamane)
Hazard InformationBack Directory
[Description]

Dithiopyr is a pre-emergence herbicide. It has a low aqueous solubility and, based on its chemical properties, is not expected to leach to groundwater. It is usually persistent in both soil and aquatic systems. It has a low toxicity to mammals and birds but is moderately toxic to most aquatic life, honeybees and earthworms.
[Uses]

Herbicide.
[Definition]

ChEBI: Dithiopyr is a member of pyridines, a thioester and an organofluorine compound.
[Production Methods]

The commercial production of dithiopyr involves a multi-step synthesis starting with a pyridine ring as the core structure. Key steps include alkylation to introduce isobutyl and fluorinated side chains, followed by esterification with thiocarboxylic acids to form the dicarbothioate functional groups. The process requires precise control of reaction conditions to ensure selective substitution and high yield. Final steps include purification and formulation.
[Mechanism of action]

Inhibits cell division - a mitotic inhibitor of normal cell division in susceptible plants. Thought to alter microtubule polymerization.
[Pesticide Type]

Herbicide
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