66-76-2
Product Name:
DICUMAROL
Formula:
C19H12O6
Synonyms:
3,3ʹ-Methylenebis(4-hydroxycoumarin), Bishydroxycoumarin, Dicumarol;Bishydroxycoumarin;Dicoumarol;Dicoumarol - CAS 66-76-2 - Calbiochem;Dicumarol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid with a mild pleasant odor; [HSDB] |
|---|---|
| Color/Form | White or creamy white, crystalline powder |
| Odor | Slight, pleasant odor |
| Taste | Slightly bitter taste |
| Melting Point | 290 °C |
| Solubility | 128 mg/L |
| LogP | 2.07 |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Collision Cross Section | 182 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| 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 |
H301:Acute toxicity,oral H372:Specific target organ toxicity, repeated exposure H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. 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. P314:Get medical advice/attention if you feel unwell. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 336.3 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 336.06338810 g/mol |
| Monoisotopic Mass | 336.06338810 g/mol |
| Topological Polar Surface Area | 93.1 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 605 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Dicoumarol is a hydroxycoumarin that is methane in which two hydrogens have each been substituted by a 4-hydroxycoumarin-3-yl group. Related to warfarin, it has been used as an anticoagulant. It has a role as a vitamin K antagonist, an anticoagulant, an EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor and a Hsp90 inhibitor.