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CAS No.: | 117113-98-1 |
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Name: | 4-(4-FLUOROBENZYLOXY)BENZYL ALCOHOL |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C14H13FO2 |
Molecular Weight: | 232.254 |
Synonyms: | [4-(4-Fluorobenzyloxy)phenyl]methanol;4-(4-Fluorobenzyloxy)benzyl alcohol; |
Density: | 1.208 g/cm3 |
Melting Point: | 106-108 °C |
Boiling Point: | 376.4 °C at 760 mmHg |
Flash Point: | 172.5 °C |
Hazard Symbols: | Xi |
PSA: | 29.46000 |
LogP: | 2.89700 |
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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