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81-82-3

81-82-3 structural image
Product Name: COUMACHLOR
Formula: C19H15ClO4
Synonyms: (±)-3-(α-Acetonyl-p-chlorobenzyl)-4-hydroxycoumarin;p-Chlorowarfarin
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless solid; [HSDB]
Color/Form Colorless, crystalline solid
Melting Point 169-171 °C
Solubility Soluble in alcohol, acetone, chloroform. Slightly soluble in Benzene, ether
Chemical Classes Pesticides -> Rodenticides, Anticoagulant

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H301:Acute toxicity,oral
H310:Acute toxicity,dermal
H373:Specific target organ toxicity, repeated exposure
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P262:Do not get in eyes, on skin, or on clothing.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
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 342.8 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 342.0658866 g/mol
Monoisotopic Mass 342.0658866 g/mol
Topological Polar Surface Area 63.6 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 534
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

Coumachlor is a hydroxycoumarin.