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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.