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Resorufin benzyl ether

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Name

Resorufin benzyl ether

EINECS N/A
CAS No. 87687-02-3 Density 1.26 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C19H13NO3 Boiling Point 479.9 °C at 760 mmHg
Molecular Weight 303.317 Flash Point 217.7 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 87687-02-3 (RESORUFIN BENZYL ETHER) Hazard Symbols IrritantXi
Synonyms

7-Benzyloxyphenoxazone;7-Benzyloxyresorufin;

 

Resorufin benzyl ether Specification

The Resorufin benzyl ether with the CAS number 87687-02-3 is also called 3H-Phenoxazin-3-one,7-(phenylmethoxy)-. The systematic name is 7-(benzyloxy)-3H-phenoxazin-3-one. Its molecular formula is C19H13NO3. This chemical should stored at 2-8°C.

The properties of the Resorufin benzyl ether are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 145.38; (6)ACD/BCF (pH 7.4): 145.39; (7)ACD/KOC (pH 5.5): 1228.95; (8)ACD/KOC (pH 7.4): 1229; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 47.89 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 86.59 cm3; (15)Molar Volume: 239.3 cm3; (16)Polarizability: 34.33×10-24cm3; (17)Surface Tension: 48.7 dyne/cm; (18)Enthalpy of Vaporization: 74.42 kJ/mol; (19)Vapour Pressure: 2.28×10-9 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2/C=C\C1=N\c4c(O/C1=C\2)cc(OCc3ccccc3)cc4
(2)InChI: InChI=1/C19H13NO3/c21-14-6-8-16-18(10-14)23-19-11-15(7-9-17(19)20-16)22-12-13-4-2-1-3-5-13/h1-11H,12H2
(3)InChIKey: XNZRYTITWLGTJS-UHFFFAOYAS

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