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28772-56-7

28772-56-7 structural image
Product Name: Bromadiolone
Formula: C30H23BrO4
Synonyms: Bromodiolone
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellowish powder. Used as an anticoagulant rodenticide. (EPA, 1998)
Color/Form White to off-white powder
Odor Odorless
Boiling Point Decomposes, without boiling, above the melting point
Melting Point 392 to 410 °F (EPA, 1998)
Flash Point 218 °C
Solubility In water, >1.14X10+4 at pH 5, 2.48X10-3 at pH 7, 0.180 at pH 9 (all in g/L at 20 °C)
Density 1.45 at 20.5 °C
Vapor Pressure 0.00000002 [mmHg]
LogP log Kow > 5 (pH 4-5, 20-25 °C); log Kow = 3.8-4.1 (pH 6-7, 20-25 °C); log Kow = 2.5-3.2 (pH 9-10, 20-25 °C); log Kow = 4.3 (in purified water at 23 °C, pH not stated)
Stability/Shelf Life Thermally stable below 200 °C. /technical, 97% pure/
Decomposition When heated to decomposition it emits toxic fumes of Br-.
Corrosivity Non-corrosive
Surface Tension 71.2-72.1 mN/m at 20-21 °C and a concentration of 1.47-17.4 mg/L
Dissociation Constants pKa = 4.5
Other Experimental Properties Technical grade bromadiolone is 97% pure. ... Tech. grade is a yellowish powder; mp 200-210 degrees (mixture of 2 diastereoisomers)
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 527.4 g/mol
XLogP3 6.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 526.07797 g/mol
Monoisotopic Mass 526.07797 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 744
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

Yellowish powder. Used as an anticoagulant rodenticide. (EPA, 1998)