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Diethylstilbestrol

Diethyl diethylstilbestrol structural formula

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

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): 169172


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. Polarizability10-24cm3):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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