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): 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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