Name: Dithiopyr
SKU: 97886-45-8

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Basic Information

Molecular Structure:
CAS No.:	97886-45-8
Name:	Dithiopyr
Article Data:	2

Formula:	C₁₅H₁₆F₅NO₂S₂
Molecular Weight:	401.422
Synonyms:	3,5-Pyridinedicarbothioicacid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, S,S-dimethylester (9CI);Dimension;Dimension (herbicide);2-(Difluorométhyl)-4-isobutyl-6-(trifluorométhyl)-3,5-pyridinedicarbothioate de S~3~,S~5~-diméthyle;S,S'-Dimethyl 2-(Difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-3,5-pyridinedicarbothioate;S,S'-Dimethyl 2-Difluoromethyl-4-isobutyl-6-trifluoromethylpyridine-3,5-dicarbothioate;S~3~,S~5~-dimethyl 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarbothioate;Stakeout;S3,S5-dimethyl 2-(difluoromethyl)-4-isobutyl-6-(trifluoromethyl)pyridine-3,5-dicarbothioate;
Density:	1.332 g/cm³
Melting Point:	65°
Boiling Point:	460.3 °C at 760 mmHg
Flash Point:	232.2 °C
PSA:	97.63000
LogP:	5.24290

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Chemistry

CAS: 97886-45-8
Molecular Structure of Dithiopyr (CAS NO.97886-45-8):

IUPAC Name: 3-S,5-S-dimethyl 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarbothioate
Molecular Formula: C₁₅H₁₆F₅NO₂S₂
Molecular Weight: 401.42
Storage temp: 0-6°C
Index of Refraction: 1.505
Molar Refractivity: 89.39 cm³
Molar Volume: 301.3 cm³
Polarizability: 35.43*10^-24cm³
Surface Tension: 36 dyne/cm
Density: 1.332 g/cm³
Flash Point: 232.2 °C
Enthalpy of Vaporization: 72.09 kJ/mol
Boiling Point: 460.3 °C at 760 mmHg
Vapour Pressure: 1.18E-08 mmHg at 25°C
Classification Code: Agricultural Chemical; Herbicide
InChI
InChI=1/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
Smiles
n1c(C(F)F)c(C(=O)SC)c(CC(C)C)c(C(=O)SC)c1C(F)(F)F

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	oral	> 5gm/kg (5000mg/kg)	Pesticide Manual. Vol. 9, Pg. 321, 1991.
quail	LD50	oral	> 2250mg/kg (2250mg/kg)	Pesticide Manual. Vol. 9, Pg. 321, 1991.
rat	LC50	inhalation	> 6gm/m3/4H (6000mg/m3)	Pesticide Manual. Vol. 9, Pg. 321, 1991.
rat	LD50	oral	> 5gm/kg (5000mg/kg)	Pesticide Manual. Vol. 9, Pg. 321, 1991.
rat	LD50	skin	> 5gm/kg (5000mg/kg)	Pesticide Manual. Vol. 9, Pg. 321, 1991.

Safety Profile

Dithiopyr (CAS NO.97886-45-8) is low toxicity by ingestion, inhalation and skin contact. When heated to decomposition it emits toxic vapors of NO_x, SO_x, and Cl⁻.

Specification

Dithiopyr (CAS NO.97886-45-8) is also named as Dimension ; Dictran ; 3,5-pyridinedicarbothioicacid,2-(difluoromethyl)-4-(2-methylpropyl)-6-(triflu ; oromethyl)-,s,s-dimethylester ; S,S'-dimethyl-2-(difluoromethyl)-4-(2-kmethylpropyl)-6-(trifluoromethyl)-3,5-pyridinecarbothioate and so on. Dithiopyr (CAS NO.97886-45-8) is a pyridine carboxylic acid which is always used as herbicides.