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CAS No.: | 80151-28-6 |
---|---|
Name: | 3-(4-FLUORO-PHENYL)-PROP-2-YN-1-OL |
Article Data: | 60 |
Molecular Structure: | |
Formula: | C9H7FO |
Molecular Weight: | 150.152 |
Synonyms: | 3-(4-Fluorophenyl)-2-propyn-1-ol; |
Density: | 1.2 g/cm3 |
Boiling Point: | 236.7 °C at 760 mmHg |
Flash Point: | 109.7 °C |
Hazard Symbols: | Xi |
PSA: | 20.23000 |
LogP: | 1.16950 |
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The 2-Propyn-1-ol,3-(4-fluorophenyl)- is an organic compound with the formula C9H7FO. With the CAS registry number 80151-28-6, the systematic name of this chemical is 3-(4-fluorophenyl)prop-2-yn-1-ol.
Physical properties about 2-Propyn-1-ol,3-(4-fluorophenyl)- are: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): 2.38; (3)ACD/LogD (pH 7.4): 2.38; (4)ACD/BCF (pH 5.5): 37.65; (5)ACD/BCF (pH 7.4): 37.65; (6)ACD/KOC (pH 5.5): 467.27; (7)ACD/KOC (pH 7.4): 467.27; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 40.3 cm3; (14)Molar Volume: 125 cm3; (15)Polarizability: 15.97×10-24cm3; (16)Surface Tension: 45.9 dyne/cm; (17)Density: 1.2 g/cm3; (18)Flash Point: 109.7 °C; (19)Enthalpy of Vaporization: 50.04 kJ/mol; (20)Boiling Point: 236.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0256 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(C#CCO)cc1
(2)InChI: InChI=1/C9H7FO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,7H2
(3)InChIKey: ZROXSIPANMVWHB-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H7FO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,7H2
(5)Std. InChIKey: ZROXSIPANMVWHB-UHFFFAOYSA-N