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2, 5-Cyclohexadien-1-one, 4-[[4- (acetyloxy)phenyl]imino]-

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Name

2, 5-Cyclohexadien-1-one, 4-[[4- (acetyloxy)phenyl]imino]-

EINECS 231-852-3
CAS No. 7761-80-0 Density 1.17 g/cm3
PSA 55.73000 LogP 2.37950
Solubility N/A Melting Point 111-116 °C
Formula C14H11NO3 Boiling Point 368.3 °C at 760 mmHg
Molecular Weight 241.246 Flash Point 167.4 °C
Transport Information N/A Appearance dark brown crystalline powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 7761-80-0 (INDOPHENOL ACETATE) Hazard Symbols N/A
Synonyms

4-((4-Oxocyclohexa-2,5-dien-1-yl)imino)phenyl acetate;[4-[(4-oxo-1-cyclohexa-2,5-dienylidene)amino]phenyl] acetate;4-((4-(Acetyloxy)phenyl)imino)-2,5-cyclohexadien-1-one;Indophenyl acetate;2,5-Cyclohexadien-1-one, 4-((4-(acetyloxy)phenyl)imino)-;Indolphenol acetate;Indophenol, acetate (ester);2,5-Cyclohexadien-1-one, 4-((4-(acetyloxy)phenyl)imino)-;4-((4-(Acetyloxy)phenyl)imino)-2,5-cyclohexadien-1-one;

 

2, 5-Cyclohexadien-1-one, 4-[[4- (acetyloxy)phenyl]imino]- Specification

The 2,5-Cyclohexadien-1-one, 4-[[4- (acetyloxy)phenyl]imino]-, with the CAS registry number 7761-80-0 and EINECS registry number 231-852-3, has the systematic name of 4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate. It is a kind of dark brown crystalline powder. And the molecular formula of this chemical is C14H11NO3. In addition, while dealing with this chemical, you should avoid contacting with skin and eyes.

The physical properties of 2,5-Cyclohexadien-1-one, 4-[[4- (acetyloxy)phenyl]imino]- are as following: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 7.19; (6)ACD/BCF (pH 7.4): 7.19; (7)ACD/KOC (pH 5.5): 142.86; (8)ACD/KOC (pH 7.4): 142.86; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.73 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 67.92 cm3; (15)Molar Volume: 205.8 cm3; (16)Polarizability: 26.92×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 167.4 °C; (20)Enthalpy of Vaporization: 61.49 kJ/mol; (21)Boiling Point: 368.3 °C at 760 mmHg; (22)Vapour Pressure: 1.28E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2/C=C\C(=N\c1ccc(OC(=O)C)cc1)\C=C\2
(2)InChI: InChI=1/C14H11NO3/c1-10(16)18-14-8-4-12(5-9-14)15-11-2-6-13(17)7-3-11/h2-9H,1H3
(3)InChIKey: XAFOVULQFHVXSZ-UHFFFAOYAI

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