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CAS No.: | 56442-17-2 |
---|---|
Name: | 4-(4-FLUOROBENZYLOXY)BENZALDEHYDE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C14H11FO2 |
Molecular Weight: | 230.239 |
Synonyms: | 4-(4-Fluorobenzyloxy)benzaldehyde;4-(4'-Fluorobenzyloxy)benzaldehyde; |
Density: | 1.29g/cm3 |
Melting Point: | 96-100 °C |
Boiling Point: | 370.2 °C at 760 mmHg |
Flash Point: | 171.7 °C |
Appearance: | beige powder |
Hazard Symbols: | Xi |
Safety: | 24/25 |
PSA: | 26.30000 |
LogP: | 3.21720 |
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The Benzaldehyde,4-[(4-fluorophenyl)methoxy]-, with CAS registry number 56442-17-2, has the systematic name of 4-[(4-fluorobenzyl)oxy]benzaldehyde. This chemical is a kind of beige powder. When use this chemical, please avoid contact with skin and eyes. And the chemical formula of this chemical is C14H11FO2.
Physical properties of Benzaldehyde,4-[(4-fluorophenyl)methoxy]-: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.59; (8)Molar Refractivity: 64.16 cm3; (9)Molar Volume: 190 cm3; (10)Polarizability: 25.43×10-24cm3; (11)Surface Tension: 43.6 dyne/cm; (12)Density: 1.211 g/cm3; (13)Flash Point: 171.7 °C; (14)Enthalpy of Vaporization: 61.71 kJ/mol; (15)Boiling Point: 370.2 °C at 760 mmHg; (16)Vapour Pressure: 1.12E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)COc2ccc(cc2)C=O
(2)InChI: InChI=1/C14H11FO2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-9H,10H2
(3)InChIKey: QGULWBQOCMQNFD-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C14H11FO2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-9H,10H2
(5)Std. InChIKey: QGULWBQOCMQNFD-UHFFFAOYSA-N