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3-Fluorophenethyl alcohol

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Name

3-Fluorophenethyl alcohol

EINECS N/A
CAS No. 52059-53-7 Density 1.125
PSA 20.23000 LogP 1.36050
Solubility N/A Melting Point N/A
Formula C8H9FO Boiling Point 90 ºC (3 mmHg)
Molecular Weight 140.157 Flash Point 107 ºC
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45-27 Risk Codes 36/37/38-21/22-34
Molecular Structure Molecular Structure of 52059-53-7 (3-Fluorophenethyl alcohol) Hazard Symbols CorrosiveCHarmfulXn
Synonyms

2-(3-Fluorophenyl)ethanol;3-Fluorobenzeneethanol;3-Fluorophenethyl alcohol;

Article Data 20

3-Fluorophenethyl alcohol Specification

The 3-Fluorophenethyl alcohol, with the cas registry number 52059-53-7, has the systematic name of 2-(3-fluorophenyl)ethanol. Tts product categories are various, including Phenyls & Phenyl-Het; Phenyls & Phenyl-Het; Alcohols; C7 to C8; Oxygen Compounds. The molecular formula of the chemical is C8H9FO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 6.95; (6)ACD/BCF (pH 7.4): 6.95; (7)ACD/KOC (pH 5.5): 139.46; (8)ACD/KOC (pH 7.4): 139.46; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 37.33 cm3; (15)Molar Volume: 123.9 cm3; (16)Polarizability: 14.79×10-24cm3; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 96.5 °C; (20)Enthalpy of Vaporization: 46.62 kJ/mol; (21)Boiling Point: 204.7 °C at 760 mmHg; (22)Vapour Pressure: 0.157 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful by inhalation and if swallowed, and it irritates to eyes, respiratory system and skin, what's more, it may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice, and remeber to take off immediately all contaminated clothing.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc(ccc1)CCO
(2)InChI: InChI=1/C8H9FO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
(3)InChIKey: MZNBGEKFZCWVES-UHFFFAOYAH

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