56073-07-5
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
Inquiry
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.