CAS No.131802-60-3,7-BENZYLOXYQUINOLINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	131802-60-3
Name:	7-BENZYLOXYQUINOLINE

Formula:	C₁₆H₁₃NO
Molecular Weight:	235.285
Synonyms:	7-Benzyloxyquinoline;quinoline, 7-(phenylmethoxy)-;
Density:	1.167 g/cm³
Boiling Point:	397.9 °C at 760 mmHg
Flash Point:	144.3 °C
Hazard Symbols:
Risk Codes:	R36/37/38
Safety:	S26-36
PSA:	22.12000
LogP:	3.81380

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Specification

The 7-Benzyloxyquinoline with cas registry number of 131802-60-3, is also called quinoline, 7-(phenylmethoxy)-. The 7-Benzyloxyquinoline belongs to the following product categories: (1)Cytochrome P450 3A4Drug and Xenobiotic Metabolism; (2)Detection and Quantitation; (3)Enzyme Substrates; (4)ReagentsCell Signaling Enzymes; (5)Substrates; (6)Substrates by Enzyme; (7)Xenobiotics and Drug Metabolism.

Physical properties of 7-Benzyloxyquinoline: (1)ACD/LogP: 3.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 3.99; (5)ACD/BCF (pH 5.5): 415.66; (6)ACD/BCF (pH 7.4): 631.44; (7)ACD/KOC (pH 5.5): 2310.31; (8)ACD/KOC (pH 7.4): 3509.62; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 22.12 Å²; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 73.35 cm³; (15)Molar Volume: 201.4 cm³; (16)Polarizability: 29.07×10^-24cm³; (17)Surface Tension: 49.3 dyne/cm; (18)Enthalpy of Vaporization: 62.32 kJ/mol; (19)Vapour Pressure: 3.51E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 7-Benzyloxyquinoline irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: (1)SMILES:O(c1cc2ncccc2cc1)Cc3ccccc3; (2)InChI:InChI=1/C16H13NO/c1-2-5-13(6-3-1)12-18-15-9-8-14-7-4-10-17-16(14)11-15/h1-11H,12H2; (3)InChIKey:SIDLHXXVIBTSJZ-UHFFFAOYAX; (4)Std. InChI:InChI=1S/C16H13NO/c1-2-5-13(6-3-1)12-18-15-9-8-14-7-4-10-17-16(14)11-15/h1-11H,12H2; (5)Std. InChIKey:SIDLHXXVIBTSJZ-UHFFFAOYSA-N.