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117-52-2

117-52-2 structural image
Product Name: COUMAFURYL
Formula: C17H14O5
Synonyms: 3-(α-Acetonyl-2-furylmethyl)-4-hydroxycoumarin;3-(α-Acetonylfuryl)-4-hydroxy-coumarin
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White solid; [HSDB]
Color/Form White powder
Melting Point 124 °C
Solubility Solubility in water: 150 g/100 ml @ 20 °C /Sodium salt/
Vapor Pressure Very low at room temperature
Corrosivity Non-corrosive
Other Experimental Properties Very stable to acids and bases
Chemical Classes Pesticides -> Rodenticides, Anticoagulant

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H300:Acute toxicity,oral
H372:Specific target organ toxicity, repeated exposure
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes 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.
P314:Get medical advice/attention if you feel unwell.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 298.29 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 298.08412354 g/mol
Monoisotopic Mass 298.08412354 g/mol
Topological Polar Surface Area 76.7 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 495
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Coumafuryl is a hydroxycoumarin.