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4-Quinolinol, 7-(phenylmethoxy)-

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Name

4-Quinolinol, 7-(phenylmethoxy)-

EINECS N/A
CAS No. 749922-34-7 Density 1.256 g/cm3
PSA 42.09000 LogP 3.10710
Solubility N/A Melting Point N/A
Formula C16H13NO2 Boiling Point 455.8 °C at 760 mmHg
Molecular Weight 251.285 Flash Point 229.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 749922-34-7 (7-BENZYLOXY-4-HYDROXY-QUINOLINE) Hazard Symbols IrritantXi
Synonyms

7-(Benzyloxy)quinolin-4-ol;7-Benzyloxy-4-hydroxy-quinoline;

Article Data 16

4-Quinolinol, 7-(phenylmethoxy)- Specification

The CAS register number of 4-Quinolinol, 7-(phenylmethoxy)- is 749922-34-7. It also can be called as 7-Benzyloxy-4-hydroxy-quinoline and the systematic name about this chemical is 7-(benzyloxy)quinolin-4-ol. The molecular formula about this chemical is C16H13NO2 and the molecular weight is 251.28. This chemical is irritant and it may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-Quinolinol, 7-(phenylmethoxy)- are: (1)ACD/LogP: 4.16; (2)ACD/LogD (pH 5.5): 1.7; (3)ACD/LogD (pH 7.4): 1.7; (4)ACD/BCF (pH 5.5): 2.95; (5)ACD/BCF (pH 7.4): 2.96; (6)ACD/KOC (pH 5.5): 15.12; (7)ACD/KOC (pH 7.4): 15.15; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 42.35 Å2; (12)Index of Refraction: 1.676; (13)Molar Refractivity: 75.23 cm3; (14)Molar Volume: 199.9 cm3; (15)Polarizability: 29.82x10-24cm3; (16)Surface Tension: 56.9 dyne/cm; (17)Density: 1.256 g/cm3; (18)Flash Point: 229.5 °C; (19)Enthalpy of Vaporization: 74.31 kJ/mol; (20)Boiling Point: 455.8 °C at 760 mmHg; (21)Vapour Pressure: 6.28E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccnc2cc(ccc12)OCc3ccccc3
(2)InChI: InChI=1/C16H13NO2/c18-16-8-9-17-15-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,17,18)
(3)InChIKey: KWQRHYWEGFFXKV-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C16H13NO2/c18-16-8-9-17-15-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,17,18)
(5)Std. InChIKey: KWQRHYWEGFFXKV-UHFFFAOYSA-N

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