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56073-07-5

56073-07-5 structural image
Product Name: Difenacoum
Formula: C31H24O3
Synonyms: 3-(3-Biphenyl-4-yl-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin;3-(3-Biphenyl-4-yl-1,2,3,4-tetrahydro-naphthalen-1-yl)-4-hydroxychromen-2-one
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Off-white odorless solid; [HSDB]
Color/Form Colorless crystals
Odor Odorless
Boiling Point 290 °C (decomposes before boiling)
Melting Point 215-217 °C
Solubility In water at 20 °C, 84 mg/L (pH 9.3); 2.5 mg/L (pH 7.3); 0.031 mg/L (pH 5.2)
Density 1.27 at 21.5 °C
Vapor Pressure 0.0000012 [mmHg]
LogP log Kow = 6.09 - 6.13 at 20 deg, pH 6.5 (partially ionized)
Stability/Shelf Life Stable to light, and to temps up to 100 °C.
Decomposition When heated to decomposition it emits acrid smoke and irritating vapors
Dissociation Constants pKa = 4.84
Other Experimental Properties Buff/beige powder /Technical/
Chemical Classes Pesticides -> Rodenticides, Anticoagulant

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H372:Specific target organ toxicity, repeated exposure
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 444.5 g/mol
XLogP3 6.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 444.17254462 g/mol
Monoisotopic Mass 444.17254462 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 757
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Difenacoum is a ring assembly, a member of benzenes and a member of naphthalenes.