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

Name
INDOPHENOL ACETATE
EINECS 231-852-3
CAS No. 7761-80-0
Density 1.17 g/cm³
Solubility
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
Appearance dark brown crystalline powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 55.73000
LogP 2.37950

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

Product Name

INDOPHENOL ACETATE

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

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