Pregn-4-ene-3,20-dione, 6-alpha-fluoro- supplier

Name
6α-Fluoropregn-4-ene-3,20-dione
EINECS
CAS No. 2300-03-0
Article Data12
CAS DataBase
Density 1.12 g/cm³
Solubility
Melting Point
Formula C₂₁H₂₉FO₂
Boiling Point 449.3 °C at 760 mmHg
Molecular Weight 332.458
Flash Point 169.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6α-Fluoroprogesterone;6α-Fluoropregn-4-ene-3,20-dione;
PSA 34.14000
LogP 4.67150

Pregn-4-ene-3,20-dione, 6-alpha-fluoro- Specification

The Pregn-4-ene-3,20-dione, 6-alpha-fluoro-, with the CAS registry number 2300-03-0, is also known as 6α-Fluoroprogesterone. This chemical's molecular formula is C₂₁H₂₉FO₂ and molecular weight is 332.45. What's more, its systematic name is (6α)-6-fluoropregn-4-ene-3,20-dione. Its classification codes are: Hormone, Reproductive Effect.

Physical properties of Pregn-4-ene-3,20-dione, 6-alpha-fluoro- are: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 34.14 Å²; (7)Index of Refraction: 1.53; (8)Molar Refractivity: 91.05 cm³; (9)Molar Volume: 294.5 cm³; (10)Polarizability: 36.09×10^-24cm³; (11)Surface Tension: 39.6 dyne/cm; (12)Density: 1.12 g/cm³; (13)Flash Point: 169.7 °C; (14)Enthalpy of Vaporization: 70.79 kJ/mol; (15)Boiling Point: 449.3 °C at 760 mmHg; (16)Vapour Pressure: 2.9E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)C)CC[C@H]3[C@@H]1C[C@@H]2F)C)(C)CC4
(2)Std. InChI: InChI=1S/C21H29FO2/c1-12(23)15-4-5-16-14-11-19(22)18-10-13(24)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17,19H,4-9,11H2,1-3H3/t14-,15+,16-,17-,19-,20+,21+/m0/s1
(3)Std. InChIKey: UZROOFLUFHWOJQ-ADDDSGAWSA-N

Product Name

6α-Fluoropregn-4-ene-3,20-dione

Pregn-4-ene-3,20-dione, 6-alpha-fluoro- Specification

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