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Benzenemethanol,4-[(4-fluorophenyl)methoxy]-

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Name

Benzenemethanol,4-[(4-fluorophenyl)methoxy]-

EINECS N/A
CAS No. 117113-98-1 Density 1.208 g/cm3
PSA 29.46000 LogP 2.89700
Solubility N/A Melting Point 106-108 °C
Formula C14H13FO2 Boiling Point 376.4 °C at 760 mmHg
Molecular Weight 232.254 Flash Point 172.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 117113-98-1 (4-(4-FLUOROBENZYLOXY)BENZYL ALCOHOL) Hazard Symbols IrritantXi
Synonyms

[4-(4-Fluorobenzyloxy)phenyl]methanol;4-(4-Fluorobenzyloxy)benzyl alcohol;

Article Data 4

Benzenemethanol,4-[(4-fluorophenyl)methoxy]- Specification

The Benzenemethanol,4-[(4-fluorophenyl)methoxy]-, with the CAS registry number 117113-98-1, is also known as 4-(4-Fluorobenzyloxy)benzyl alcohol. This chemical's molecular formula is C14H13FO2 and molecular weight is 232.25. What's more, its systematic name is {4-[(4-fluorobenzyl)oxy]phenyl}methanol. It should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of Benzenemethanol,4-[(4-fluorophenyl)methoxy]- are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 61.57; (6)ACD/BCF (pH 7.4): 61.57; (7)ACD/KOC (pH 5.5): 664.4; (8)ACD/KOC (pH 7.4): 664.4; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 63.86 cm3; (15)Molar Volume: 192.1 cm3; (16)Polarizability: 25.31×10-24cm3; (17)Surface Tension: 44.6 dyne/cm; (18)Density: 1.208 g/cm3; (19)Flash Point: 172.5 °C; (20)Enthalpy of Vaporization: 65.83 kJ/mol; (21)Boiling Point: 376.4 °C at 760 mmHg; (22)Vapour Pressure: 2.47E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1CO)OCC2=CC=C(C=C2)F
(2)InChI: InChI=1S/C14H13FO2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-8,16H,9-10H2
(3)InChIKey: FNWSEJASZBRBDB-UHFFFAOYSA-N

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