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97886-45-8

97886-45-8 structural image
Product Name: DITHIOPYR
Formula: C15H16F5NO2S2
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Pale, yellow, crystalline solid
Odor Faint sulfur-like odor
Boiling Point 65 °C
Solubility In water, 1.4 mg/L at 20 °C
Density 1.413 g/cu cm at 25 °C (typical)
Vapor Pressure 4.0X10-6 mm Hg at 25 °C
LogP log Kow = 4.75
Decomposition When heated to decompositin it emits toxic vapors of /nitrogen oxides, sulfur oxides and chloride/.
Dissociation Constants Dithiopyr does not act as an acid (pKa not required for USEPA Registration)
Kovats Retention Index 1893 1920 1925 1920 1958
Other Experimental Properties Henry's Law constant = 1.53X10-6 atm-cu m/mole at 25 °C (estimated from vapor pressure and water solubility

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H313:Acute toxicity,dermal
H341:Germ cell mutagenicity
H360:Reproductive toxicity
H371:Specific target organ toxicity, single exposure
H373:Specific target organ toxicity, repeated exposure
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P391:Collect spillage. Hazardous to the aquatic environment
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 401.4 g/mol
XLogP3 4.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 7
Exact Mass 401.05426191 g/mol
Monoisotopic Mass 401.05426191 g/mol
Topological Polar Surface Area 97.6 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 487
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Dithiopyr is a member of pyridines, a thioester and an organofluorine compound.