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1,4-Chrysenedione

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Name

1,4-Chrysenedione

EINECS N/A
CAS No. 100900-16-1 Density 1.353 g/cm3
PSA 34.14000 LogP 3.92820
Solubility N/A Melting Point 210-212 °C
Formula C18H10O2 Boiling Point 499.5 °C at 760 mmHg
Molecular Weight 258.276 Flash Point 184.7 °C
Transport Information N/A Appearance N/A
Safety 36 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 100900-16-1 (1,4-CHRYSENEQUINONE) Hazard Symbols HarmfulXn
Synonyms

1,4-Chrysenequinone;Chrysene-1,4-quinone;Chrysene-1,4-dione;

Article Data 3

1,4-Chrysenedione Synthetic route

826-74-4

1-vinylnaphthalene

(+/-)-2-(p-tolylsulfinyl)-1,4-benzoquinone

100900-16-1

benz-1,4-phenanthrenequinone

Conditions
ConditionsYield
In dichloromethane at 20℃; under 9000720 Torr; for 18h;80%
63019-38-5

1-hydroxy-chrysene

100900-16-1

benz-1,4-phenanthrenequinone

Conditions
ConditionsYield
With potassium nitrososulfonate
826-74-4

1-vinylnaphthalene

106-51-4

p-benzoquinone

100900-16-1

benz-1,4-phenanthrenequinone

Conditions
ConditionsYield
With acetic acid at 100℃;
826-74-4

1-vinylnaphthalene

100900-16-1

benz-1,4-phenanthrenequinone

122446-36-0

phenanthro[1,2-b]chrysene-7,16-dione

100900-16-1

benz-1,4-phenanthrenequinone

218-01-9

chrysene

Conditions
ConditionsYield
With tetrahydrofuran; lithium aluminium tetrahydride
100900-16-1

benz-1,4-phenanthrenequinone

101875-22-3

1,4-chrysenediol

Conditions
ConditionsYield
With 1,4-dioxane; sodium dithionite; tin(ll) chloride weitere Reagenzien: wss. HCl, Essigsaeure;
With sodium tetrahydroborate In acetone
100900-16-1

benz-1,4-phenanthrenequinone

108-24-7

acetic anhydride

110877-25-3

1,4-diacetoxy-chrysene

Conditions
ConditionsYield
With pyridine; zinc
100900-16-1

benz-1,4-phenanthrenequinone

108-24-7

acetic anhydride

113113-87-4

1,2,4-triacetoxy-chrysene

Conditions
ConditionsYield
With sulfuric acid
100900-16-1

benz-1,4-phenanthrenequinone

A

100578-69-6

phenanthrene-1,2-dicarboxylic acid

B

125413-66-3

1,2,3,4-chrysenetetrone

Conditions
ConditionsYield
With KO2; 18-crown-6 ether In N,N-dimethyl-formamide for 20h; Ambient temperature;A 84 % Chromat.
B 8 % Chromat.
63383-46-0

1-(trimethylsiloxy)-1,3-butadiene

100900-16-1

benz-1,4-phenanthrenequinone

A

8-hydroxybenzo[b]chrysene-7,12-dione

B

11-hydroxybenzo[b]chrysene-7,12-dione

Conditions
ConditionsYield
Stage #1: 1-(trimethylsiloxy)-1,3-butadiene; benz-1,4-phenanthrenequinone In dichloromethane at -78 - 20℃; Diels-Alder reaction;
Stage #2: With jones reagent In acetone at 0 - 20℃; Jones oxidation; Title compound not separated from byproducts;

1,4-Chrysenedione Specification

The 1,4-Chrysenedione, with the CAS registry number 100900-16-1, is also known as Chrysene-1,4-dione. This chemical's molecular formula is C18H10O2 and molecular weight is 258.27. What's more, its IUPAC name is Chrysene-1,4-dione.

Physical properties of 1,4-Chrysenedione are: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 1000.89; (6)ACD/BCF (pH 7.4): 1000.89; (7)ACD/KOC (pH 5.5): 4889.64; (8)ACD/KOC (pH 7.4): 4889.64; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14Å2; (13)Index of Refraction: 1.761; (14)Molar Refractivity: 78.58 cm3; (15)Molar Volume: 190.7 cm3; (16)Polarizability: 31.15×10-24cm3; (17)Surface Tension: 64.3 dyne/cm; (18)Density: 1.353 g/cm3; (19)Flash Point: 184.7 °C; (20)Enthalpy of Vaporization: 76.79 kJ/mol; (21)Boiling Point: 499.5 °C at 760 mmHg; (22)Vapour Pressure: 4.14E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. When you use it, make sure wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\4c3c(ccc2c1ccccc1ccc23)C(=O)/C=C/4
(2)Std. InChI: InChI=1S/C18H10O2/c19-16-9-10-17(20)18-14-6-5-11-3-1-2-4-12(11)13(14)7-8-15(16)18/h1-10H
(3)Std. InChIKey: UORKIKBNUWJNJF-UHFFFAOYSA-N

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