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2921-88-2

2921-88-2 structural image
Product Name: Chlorpyrifos
Formula: C9H11Cl3NO3PS
Synonyms: 0,0-Diethyl-O-[3,5,6-trichloro-2-pyridyl]phosphorothioate;Chlorpyriphos
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Chlorpyrifos is a white crystalline or irregularly flaked solid. It has a very faint mercaptan-type odor. It is not soluble in water. It can cause slight irritation to the eye and skin.
Color/Form White granular crystals
Odor Mild mercaptan odor
Boiling Point 320 °F at 760 mmHg (Decomposes) (NIOSH, 2023)
Melting Point 108 to 110 °F (NTP, 1992)
Flash Point 82 °F (CLOSED CUP) /DURSBAN 4E/
Solubility approximately 2 mg/L at 77 °F (NTP, 1992)
Density 1.4 (Liquid at 110 °F) (NIOSH, 2023) - Denser than water; will sink
Vapor Density 12.09 (calculated) (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 1.87e-05 mmHg at 77 °F (NTP, 1992)
LogP log Kow = 4.96
Henry's Law Constant Henry's Law constant = 3.55X10-5 atm cu-m/mol at 25 °C
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition Decomposition temperature: approx 160 °C
Corrosivity Corrosive to copper and brass
Dissociation Constants Practically non-dissociative by nature
Collision Cross Section 201.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Kovats Retention Index 1947 1967 1951.4 1927 1997 1940 1955 1982 1966.1 1956.9 1971
Other Experimental Properties Heat of sublimation 26,800 cal/mol /From table/
Chemical Classes Pesticides -> Organophosphate Insecticides

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Environment
GHS09
GHS Hazard Statements H301:Acute toxicity,oral
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes 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.
P391:Collect spillage. Hazardous to the aquatic environment
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 350.6 g/mol
XLogP3 5.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 348.926284 g/mol
Monoisotopic Mass 348.926284 g/mol
Topological Polar Surface Area 72.7 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 303
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

Chlorpyrifos is an insecticide that is a white crystal-like solid with a strong odor. It does not mix well with water, so it is usually mixed with oily liquids before it is applied to crops or animals. It may also be applied to crops in a capsule form. Chlorpyrifos has been widely used in homes and on farms. In the home, it is used to control cockroaches, fleas, and termites; it is also used in some pet flea and tick collars. On the farm, it is used to control ticks on cattle and as a spray to control crop pests.