Structural formula

Business number	017P
Molecular formula	C18N20O2
Molecular weight	268.35
label	(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene, DES, Stilbestrol

• 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:56-53-1

MDL number:MFCD00002373

EINECS number:200-278-5

RTECS number:WJ5600000

BRN number:2056095

PubChem number:24893887

Physical property data

1. Characteristics: White small flake crystals.

2. Density (g/mL,25/4℃) ： Undetermined

3. Relative vapor density (g/mL,AIR=1): not OK

4. Melting point (oC): 169～172

5. Boiling point ( oC,Normal pressure): Undetermined

6. Boiling point ( oC,5.2kPa): Undetermined

7. Refractive Index: Undetermined

8. Flashpoint (oC): Undetermined

9. Specific optical rotation (o): Undetermined

10. Autoignition point or ignition temperature (oC): Not OK

11. Vapor pressure (kPa,25oC): Undetermined

12. Saturation vapor pressure (kPa,60oC): Undetermined

13. heat of combustion (KJ/mol): Undetermined

14. Critical temperature (oC): Undetermined

15. Critical Pressure (KPa): Undetermined

16. Oil and water (octanol/Water) partition coefficient pair Value: Undetermined

17. Explosion limit (%,V/V): Not OK

18. Lower explosion limit (%,V/V): Not OK

19. Solubility:Solution Soluble in ethanol, ether, chloroform, fatty oils and dilute alkaline solutions, almost insoluble in water. Neutral to litmus.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 86.16

2. Molar volume (m³/mol）：260.0

3. isotonic specific volume (90.2K):654.4

4. Surface tension (dyne/cm) ：40.0

5. Polarizability（10^-24cm³):34.16

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: 9

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 286

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: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed with argon and stored away from light.

Synthesis method

None

Purpose

For biochemical research. Detector for studying fluorine.

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