117-52-2
Product Name:
COUMAFURYL
Formula:
C17H14O5
Synonyms:
3-(α-Acetonyl-2-furylmethyl)-4-hydroxycoumarin;3-(α-Acetonylfuryl)-4-hydroxy-coumarin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | White solid; [HSDB] |
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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 |
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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 |
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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.