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| CAS No.: | 126534-33-6 |
|---|---|
| Name: | (R)-1-(3-Fluorophenyl)ethanol |
| Molecular Structure: | |
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| Formula: | C8H9FO |
| Molecular Weight: | 140.15 |
| Synonyms: | Benzenemethanol,3-fluoro-a-methyl-, (R)-;(+)-1-(m-Fluorophenyl)ethanol;(R)-1-(3-Fluorophenyl)ethanol;(aR)-3-Fluoro-a-methylbenzenemethanol;(1R)-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; |
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Specification
The Benzenemethanol,3-fluoro-a-methyl-, (aR)-, with the CAS registry number 126534-33-6, is also known as (aR)-3-Fluoro-a-methylbenzenemethanol. This chemical's molecular formula is C8H9FO and molecular weight is 140.15. What's more, its systematic name is (1R)-1-(3-fluorophenyl)ethanol.
Physical properties of Benzenemethanol,3-fluoro-a-methyl-, (aR)- are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 7.24; (6)ACD/BCF (pH 7.4): 7.24; (7)ACD/KOC (pH 5.5): 143.52; (8)ACD/KOC (pH 7.4): 143.52; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 37.33 cm3; (15)Molar Volume: 124.7 cm3; (16)Polarizability: 14.8×10-24cm3; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.123 g/cm3; (19)Flash Point: 90.1 °C; (20)Enthalpy of Vaporization: 45.71 kJ/mol; (21)Boiling Point: 196.2 °C at 760 mmHg; (22)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-/m1/s1
(3)InChIKey: YESOPGLEIJQAEF-ZCFIWIBFSA-N