3,3′-Methylenebis(4-hydroxycoumarin) 3,3′-Methylenebis(4-hydroxycoumarin)
Structural formula
| Business number | 01E8 |
|---|---|
| Molecular formula | C19H12O6 |
| Molecular weight | 336.3 |
| label |
Dihydroxycoumarin, Anti-rat pest, Bis(4-hydroxycoumarin-3-yl)methane, Dicumarol, Acadyl, Acavyl, Dicoumarol, Dicumarine, Dicumol, Bis(4-hydroxycoumarin-3-yl)methane, Rodenticide |
Numbering system
CAS number:66-76-2
MDL number:MFCD00006857
EINECS number:200-632-9
RTECS number:GN7875000
BRN number:None
PubChem number:24896643
Physical property data
1. Characteristics: white and fine crystallization. Slightly pleasant smell. Slightly bitter.
2. Density (g/mL,25/4℃): Undetermined
3. Relative vapor density ( g/mL,Air =1): Not OK
4. Melting point (ºC): 287～293
5. Boiling point (ºC,Normal pressure): Not OK
6. Boiling point (ºC,5.2kPa): Not OK
7. Refractive index: not OK
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation ( º): Undetermined
10. Spontaneous ignition point or ignition Combustion temperature (ºC) : Undetermined
11. Vapor pressure (kPa,25ºC): Not OK
12. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V) : Undetermined
19. Solubility: soluble It is slightly soluble in alkaline aqueous solution, pyridine and similar organic bases, slightly soluble in chloroform and benzene, and almost insoluble in water, ethanol and ether.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index:85.38
2. Molar volume (m3/mol）：213.7
3. isotonic specific volume (90.2K):640.7
4. Surface Tension (dyne/cm):80.2
5. Polarizability（10-24cm3): 33.85
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.6
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 6
6. Topological molecule polar surface area 93.1
7. Number of heavy atoms: 25
8. Surface charge: 0
9. Complexity: 605
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
This product should be sealed and stored away from light.
Synthesis method
None yet
Purpose
Anticoagulant.
“FONT-SIZE: 9pt; FONT-FAMILY: 宋体; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>isotonic ratio (90.2K):640.7
4. Surface Tension (dyne/cm):80.2
5. Polarizability（10-24cm3): 33.85
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.6
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 6
6. Topological molecule polar surface area 93.1
7. Number of heavy atoms: 25
8. Surface charge: 0
9. Complexity: 605
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
This product should be sealed and stored away from light.
Synthesis method
None yet
Purpose
Anticoagulant.