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2-(4-Fluorophenyl)-2-propanol

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Name

2-(4-Fluorophenyl)-2-propanol

EINECS N/A
CAS No. 402-41-5 Density 1.09 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point 37.8 °C
Formula C9H11FO Boiling Point 212.7 °C at 760 mmHg
Molecular Weight 154.184 Flash Point 101.8 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 402-41-5 (2-(4-FLUOROPHENYL)-2-PROPANOL) Hazard Symbols FlammableF
Synonyms

Benzylalcohol, p-fluoro-a,a-dimethyl- (6CI,8CI);2-(4-Fluorophenyl)-2-propanol;4-Fluorocumyl alcohol;a,a-Dimethyl-4-fluorobenzyl alcohol;

Article Data 10

2-(4-Fluorophenyl)-2-propanol Specification

The CAS register number of 2-(4-Fluorophenyl)-2-propanol is 402-41-5. It also can be called as Benzenemethanol,4-fluoro-a,a-dimethyl- and the IUPAC name about this chemical is 2-(4-fluorophenyl)propan-2-ol. The molecular formula about this chemical is C9H11FO and molecular weight is 154.18.

Physical properties about 2-(4-Fluorophenyl)-2-propanol are: (1)ACD/LogP: 1.78; (2)ACD/LogD (pH 5.5): 1.78; (3)ACD/LogD (pH 7.4): 1.78; (4)ACD/BCF (pH 5.5): 13.34; (5)ACD/BCF (pH 7.4): 13.34; (6)ACD/KOC (pH 5.5): 222.36; (7)ACD/KOC (pH 7.4): 222.36; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.499; (13)Molar Refractivity: 41.53 cm3; (14)Molar Volume: 141.3 cm3; (15)Polarizability: 16.46x10-24cm3; (16)Surface Tension: 33.2 dyne/cm; (17)Enthalpy of Vaporization: 47.46 kJ/mol; (18)Boiling Point: 212.7 °C at 760 mmHg; (19)Vapour Pressure: 0.101 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C(O)(C)C
(2)InChI: InChI=1/C9H11FO/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6,11H,1-2H3
(3)InChIKey: QURXIISLVHJNGB-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H11FO/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6,11H,1-2H3
(5)Std. InChIKey: QURXIISLVHJNGB-UHFFFAOYSA-N

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