81-81-2
Product Name:
Warfarin
Formula:
C19H16O4
Synonyms:
4-Hydroxy-3-(3-oxo-1-phenylbutyl)coumarin;Coumafene
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Warfarin is an odorless and colorless solid. Used as a rodenticide for Norway rats and for house mice. (EPA, 1998) |
|---|---|
| Color/Form | Crystals from alcohol |
| Odor | Odorless |
| Taste | Tasteless |
| Boiling Point | Decomposes (NIOSH, 2023) |
| Melting Point | 322 °F (EPA, 1998) |
| Solubility | 0.002 % (NIOSH, 2023) |
| Density | Relative density (water = 1): 1.4 |
| Vapor Density | Relative vapor density (air = 1): 10.6 |
| Vapor Pressure | 0.09 mmHg at 71 °F (NIOSH, 2023) |
| LogP | 2.7 |
| LogS | -3.89 |
| Stability/Shelf Life | Very stable, even to strong acids. |
| Decomposition | When heated to decomposition it emits acrid smoke & fumes. |
| Corrosivity | Non-corrosive |
| Ionization Efficiency | Negative |
| Caco2 Permeability | -4.68 |
| Dissociation Constants | 5.0 |
| Collision Cross Section | 166.8 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 2625 2586 2612 2625 |
| Other Experimental Properties | Warfarin has an acidic enol which forms metallic salts and an acetate, mp 117-118 °C, and a ketone which forms an oxime, mp 182-183 °C and a 2,4-dinitrophenylhydrazone, mp 215-216 °C |
| 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 H411: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 | 308.3 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 308.10485899 g/mol |
| Monoisotopic Mass | 308.10485899 g/mol |
| Topological Polar Surface Area | 63.6 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 502 |
| 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
Warfarin is an odorless and colorless solid. Used as a rodenticide for Norway rats and for house mice. (EPA, 1998)