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CAS No.: | 370-78-5 |
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Name: | 4-BENZYLOXYFLUOROBENZENE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C13H11FO |
Molecular Weight: | 202.228 |
Synonyms: | Ether,benzyl p-fluorophenyl (8CI);4-Benzyloxy-1-fluorobenzene;Benzyl 4-fluorophenylether;Benzyl p-fluorophenyl ether; |
Density: | 1.133 g/cm3 |
Melting Point: | 54-56 °C |
Boiling Point: | 301 °C at 760 mmHg |
Flash Point: | 114.2 °C |
Hazard Symbols: | Xi |
PSA: | 9.23000 |
LogP: | 3.40470 |
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The Benzene, 1-fluoro-4-(phenylmethoxy)-, with the CAS registry number 370-78-5, is also known as Benzyl 4-fluorophenyl ether. This chemical's molecular formula is C13H11FO and molecular weight is 202.22. What's more, its IUPAC name is 1-Fluoro-4-phenylmethoxybenzene. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzene, 1-fluoro-4-(phenylmethoxy)- are: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.92; (4)ACD/LogD (pH 7.4): 3.92; (5)ACD/BCF (pH 5.5): 556.78; (6)ACD/BCF (pH 7.4): 556.78; (7)ACD/KOC (pH 5.5): 3213.37; (8)ACD/KOC (pH 7.4): 3213.37; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 57.41 cm3; (15)Molar Volume: 178.3 cm3; (16)Polarizability: 22.76×10-24 cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 1.133 g/cm3; (19)Flash Point: 114.2 °C; (20)Enthalpy of Vaporization: 51.95 kJ/mol; (21)Boiling Point: 301 °C at 760 mmHg; (22)Vapour Pressure: 0.00193 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc2ccc(OCc1ccccc1)cc2
(2) InChI: InChI=1/C13H11FO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
(3) InChIKey: GOJNJAKUQZLPPP-UHFFFAOYAZ