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314-40-9

314-40-9 structural image
Product Name: Bromacil
Formula: C9H13BrN2O2
Synonyms: 5-Bromo-3-sec.-butyl-6-methyluracil
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Bromacil appears as colorless to white odorless crystalline solid. Used as an herbicide. Commercially available as a wettable powder or in liquid formulations. (NIOSH, 2022)
Color/Form White crystalline solid
Odor Odorless
Boiling Point Sublimes (NIOSH, 2023)
Melting Point 317 °F (Sublimes) (NIOSH, 2023)
Solubility 0.08 % at 77 °F (NIOSH, 2023)
Density 1.55 (NIOSH, 2023) - Denser than water; will sink
Vapor Pressure 0.0008 mmHg at 212 °F (NIOSH, 2023)
LogP log Kow = 2.11
Stability/Shelf Life Stable to 0 °F, but water-soluble formulations become less soluble with exposed to air.
Decomposition ... Decomposes slowly in strong acids.
Corrosivity Non-corrosive
Dissociation Constants pKa = 9.30 at 25 °C
Collision Cross Section 143.31 Ų [M+H]+ 162.32 Ų [M+Na]+ 146.95 Ų [M-H]-
Kovats Retention Index 1917.9 1907.5 1890.8 1922.6 1904.6
Other Experimental Properties Stable in water except under strongly acidic conditions and elevated temperatures
Chemical Classes Pesticides -> Herbicides, Other

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes 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.
P391:Collect spillage. Hazardous to the aquatic environment
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 261.12 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 260.01604 g/mol
Monoisotopic Mass 260.01604 g/mol
Topological Polar Surface Area 49.4 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 312
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

Bromacil appears as colorless to white odorless crystalline solid. Used as an herbicide. Commercially available as a wettable powder or in liquid formulations. (NIOSH, 2022)