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CAS No.: | 126534-32-5 |
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Name: | (S)-1-(3-Fluorophenyl)ethanol |
Molecular Structure: | |
Formula: | C8H9FO |
Molecular Weight: | 140.15 |
Synonyms: | Benzenemethanol,3-fluoro-a-methyl-, (S)-;(-)-1-(m-Fluorophenyl)ethanol;(S)-1-(3-Fluorophenyl)ethanol;(aS)-3-Fluoro-a-methylbenzenemethanol;(1S)-1-(3-Fluorophenyl)ethanol; |
Density: | 1.123 g/cm3 |
Boiling Point: | 196.2 °C at 760 mmHg |
Flash Point: | 90.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 20.23000 |
LogP: | 1.87900 |
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The Benzenemethanol,3-fluoro-a-methyl-, (aS)-, with the CAS registry number 126534-32-5, is also known as (aS)-3-Fluoro-a-methylbenzenemethanol. This chemical's molecular formula is C8H9FO and molecular weight is 140.15. What's more, its systematic name is (1S)-1-(3-fluorophenyl)ethanol.
Physical properties of Benzenemethanol,3-fluoro-a-methyl-, (aS)- are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.51; (8)Molar Refractivity: 37.33 cm3; (9)Molar Volume: 124.7 cm3; (10)Polarizability: 14.8×10-24cm3; (11)Surface Tension: 36.4 dyne/cm; (12)Density: 1.123 g/cm3; (13)Flash Point: 90.1 °C; (14)Enthalpy of Vaporization: 45.71 kJ/mol; (15)Boiling Point: 196.2 °C at 760 mmHg; (16)Vapour Pressure: 0.251 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1)[C@@H](O)C
(2)InChI: InChI=1S/C8H9FO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3/t6-/m0/s1
(3)InChIKey: YESOPGLEIJQAEF-LURJTMIESA-N