Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(1alpha)-17-(Acetyloxy)-6-chloro-1-(chloromethyl)pregna-4,6-diene-3,20-dione |
EINECS | 605-617-4 |
CAS No. | 17183-98-1 | Density | 1.27 g/cm3 |
PSA | 60.44000 | LogP | 5.21660 |
Solubility | N/A | Melting Point |
N/A |
Formula | C24H30Cl2O4 | Boiling Point | 554.4 °C at 760 mmHg |
Molecular Weight | 453.406 | Flash Point | 181.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pregna-4,6-diene-3,20-dione,6-chloro-1a-(chloromethyl)-17-hydroxy-,acetate (8CI);Pregna-4,6-diene-3,20-dione,17-(acetyloxy)-6-chloro-1-(chloromethyl)-, (1a)- (9CI); |
Article Data | 2 |
Systematic Name: Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-1-(chloromethyl)-, (1alpha)-
CAS NO: 17183-98-1
Molecular Formula: C24H30Cl2O4
Molecular Weight: 453.40
Molecular Structure of (1alpha)-17-(Acetyloxy)-6-chloro-1-(chloromethyl)pregna-4,6-diene-3,20-dione (CAS NO.17183-98-1):
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 60.44 Å2
Index of Refraction: 1.564
Molar Refractivity: 116.06 cm3
Molar Volume: 356.5 cm3
Surface Tension: 47.4 dyne/cm
Density: 1.27 g/cm3
Flash Point: 181.7 °C
Enthalpy of Vaporization: 83.54 kJ/mol
Boiling Point: 554.4 °C at 760 mmHg
Vapour Pressure: 2.49E-12 mmHg at 25 °C
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C[C@@H]([C@]34C)CCl)Cl)C)OC(=O)C Copy
InChI: InChI=1/C24H30Cl2O4/c1-13(27)24(30-14(2)28)8-6-18-17-11-21(26)20-10-16(29)9-15(12-25)23(20,4)19(17)5-7-22(18,24)3/h10-11,15,17-19H,5-9,12H2,1-4H3/t15-,17+,18+,19+,22+,23-,24+/m1/s1 Copy
InChIKey: MFEGXCLQSLHLPH-HAJWRMEIBL
Std. InChI: InChI=1S/C24H30Cl2O4/c1-13(27)24(30-14(2)28)8-6-18-17-11-21(26)20-10-16(29)9-15(12-25)23(20,4)19(17)5-7-22(18,24)3/h10-11,15,17-19H,5-9,12H2,1-4H3/t15-,17+,18+,19+,22+,23-,24+/m1/s1 Copy
Std. InChIKey: MFEGXCLQSLHLPH-HAJWRMEISA-N
Synonyms of (1alpha)-17-(Acetyloxy)-6-chloro-1-(chloromethyl)pregna-4,6-diene-3,20-dione (CAS NO.17183-98-1) are (1alpha)-17-(Acetyloxy)-6-chloro-1-(chloromethyl)pregna-4,6-diene-3,20-dione ; 6-Chloro-1alpha-(chloromethyl)-17-hydroxypregna-4,6-diene-3,20-dione acetate ; Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-1-(chloromethyl)-, (1a)- .