1,4-Naphthalenedione, 2-(acetyloxy)- supplier

Name
Acetic acid 1,4-dioxo-1,4-dihydronaphthalene-2-yl ester
EINECS
CAS No. 1785-65-5
Article Data2
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point
Formula C₁₂H₈O₄
Boiling Point 364.6 °C at 760 mmHg
Molecular Weight 216.193
Flash Point 164 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Acetyloxy)-1,4-naphthalenedione;2-Hydroxy-1,4-naphthoquinone acetate;(1,4-dioxonaphthalen-2-yl) acetate;1,4-Naphthoquinone, 2-hydroxy-, acetate;1,4-Naphthalenedione, 2- (acetyloxy)-;2-Acetoxy-1,4-naphthoquinone;1,4-Dioxo-1,4-dihydronaphthalen-2-yl acetate;
PSA 60.44000
LogP 1.51260

1,4-Naphthalenedione, 2-(acetyloxy)- Specification

The 1,4-Naphthalenedione, 2-(acetyloxy)-, with the CAS registry number 1785-65-5, is also known as 2-(Acetyloxy)-1,4-naphthalenedione. This chemical's molecular formula is C₁₂H₈O₄ and molecular weight is 216.19. What's more, its systematic name is 1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate.

Physical properties of 1,4-Naphthalenedione, 2-(acetyloxy)- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.19; (6)ACD/BCF (pH 7.4): 20.19; (7)ACD/KOC (pH 5.5): 299.08; (8)ACD/KOC (pH 7.4): 299.08; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 60.44 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 54.25 cm³; (15)Molar Volume: 160.1 cm³; (16)Polarizability: 21.5×10^-24cm³; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 164 °C; (20)Enthalpy of Vaporization: 61.08 kJ/mol; (21)Boiling Point: 364.6 °C at 760 mmHg; (22)Vapour Pressure: 1.66E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)OC1=CC(=O)C2=CC=CC=C2C1=O
(2)InChI: InChI=1S/C12H8O4/c1-7(13)16-11-6-10(14)8-4-2-3-5-9(8)12(11)15/h2-6H,1H3
(3)InChIKey: QHISPATYFAPAKC-UHFFFAOYSA-N

Product Name

Acetic acid 1,4-dioxo-1,4-dihydronaphthalene-2-yl ester

1,4-Naphthalenedione, 2-(acetyloxy)- Specification

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