314-40-9
Product Name:
Bromacil
Formula:
C9H13BrN2O2
Synonyms:
5-Bromo-3-sec.-butyl-6-methyluracil
Inquiry
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)