CAS No.100900-16-1,1,4-CHRYSENEQUINONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	100900-16-1
Name:	1,4-CHRYSENEQUINONE
Article Data:	3

Formula:	C₁₈H₁₀O₂
Molecular Weight:	258.276
Synonyms:	1,4-Chrysenequinone;Chrysene-1,4-quinone;Chrysene-1,4-dione;
Density:	1.353 g/cm³
Melting Point:	210-212 °C
Boiling Point:	499.5 °C at 760 mmHg
Flash Point:	184.7 °C
Hazard Symbols:	Xn
Risk Codes:	20/21/22
Safety:	36
PSA:	34.14000
LogP:	3.92820

Synthetic route

: 826-74-4
1-vinylnaphthalene

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

: 100900-16-1
benz-1,4-phenanthrenequinone

Conditions

Conditions	Yield
In dichloromethane at 20℃; under 9000720 Torr; for 18h;	80%

: 63019-38-5
1-hydroxy-chrysene

: 100900-16-1
benz-1,4-phenanthrenequinone

Conditions

Conditions	Yield
With potassium nitrososulfonate

: 826-74-4
1-vinylnaphthalene

: 106-51-4
p-benzoquinone

: 100900-16-1
benz-1,4-phenanthrenequinone

Conditions

Conditions	Yield
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

Conditions	Yield
With tetrahydrofuran; lithium aluminium tetrahydride

: 100900-16-1
benz-1,4-phenanthrenequinone

: 101875-22-3
1,4-chrysenediol

Conditions

Conditions	Yield
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

Conditions	Yield
With pyridine; zinc

: 100900-16-1
benz-1,4-phenanthrenequinone

: 108-24-7
acetic anhydride

: 113113-87-4
1,2,4-triacetoxy-chrysene

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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;

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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