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13593-03-8

13593-03-8 structural image
Product Name: Quinalphos
Formula: C12H15N2O3PS
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 165.1 Ų [M+H]+ [CCS Type: TW]
Kovats Retention Index 2054.6 2044.6 2028.1 2047.6

SAFETY INFORMATION

Signal word Danger
Pictogram(s)
GHS05
Corrosion
Corrosives
GHS05
GHS06
Skull and Crossbones
Acute Toxicity
GHS06
GHS09
Environment
GHS09
GHS Hazard Statements H311:Acute toxicity,dermal
H318:Serious eye damage/eye irritation
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 298.30 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 298.05410052 g/mol
Monoisotopic Mass 298.05410052 g/mol
Topological Polar Surface Area 85.6 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 322
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

Quinalphos is an organic thiophosphate and an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide and an agrochemical. It is functionally related to a quinoxalin-2-ol.