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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 | Hazard Symbols | Xi | |
Synonyms |
[4-(4-Fluorobenzyloxy)phenyl]methanol;4-(4-Fluorobenzyloxy)benzyl alcohol; |
Article Data | 4 |
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