-
Name
1,4-CHRYSENEQUINONE
- EINECS
- CAS No. 100900-16-1
- Article Data3
- CAS DataBase
- Density 1.353 g/cm3
- Solubility
- 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
- Appearance
- Safety 36
- Risk Codes 20/21/22
-
Molecular Structure
-
Hazard Symbols
Xn
- Synonyms 1,4-Chrysenequinone;Chrysene-1,4-quinone;Chrysene-1,4-dione;
- PSA 34.14000
- LogP 3.92820
Synthetic route
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826-74-4
1-vinylnaphthalene
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100900-16-1
benz-1,4-phenanthrenequinone
| Conditions | Yield |
|---|---|
| In dichloromethane at 20℃; under 9000720 Torr; for 18h; | 80% |
-
-
63019-38-5
1-hydroxy-chrysene
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-
100900-16-1
benz-1,4-phenanthrenequinone
| Conditions | Yield |
|---|---|
| With potassium nitrososulfonate |
| Conditions | Yield |
|---|---|
| With acetic acid at 100℃; |
-
-
826-74-4
1-vinylnaphthalene
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-
100900-16-1
benz-1,4-phenanthrenequinone
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-
122446-36-0
phenanthro[1,2-b]chrysene-7,16-dione
-
-
100900-16-1
benz-1,4-phenanthrenequinone
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-
218-01-9
chrysene
| Conditions | Yield |
|---|---|
| With tetrahydrofuran; lithium aluminium tetrahydride |
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100900-16-1
benz-1,4-phenanthrenequinone
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101875-22-3
1,4-chrysenediol
| Conditions | Yield |
|---|---|
| With 1,4-dioxane; sodium dithionite; tin(ll) chloride weitere Reagenzien: wss. HCl, Essigsaeure; | |
| With sodium tetrahydroborate In acetone |
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100900-16-1
benz-1,4-phenanthrenequinone
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-
108-24-7
acetic anhydride
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110877-25-3
1,4-diacetoxy-chrysene
| Conditions | Yield |
|---|---|
| With pyridine; zinc |
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100900-16-1
benz-1,4-phenanthrenequinone
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108-24-7
acetic anhydride
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113113-87-4
1,2,4-triacetoxy-chrysene
| Conditions | Yield |
|---|---|
| With sulfuric acid |
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100900-16-1
benz-1,4-phenanthrenequinone
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A
-
100578-69-6
phenanthrene-1,2-dicarboxylic acid
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B
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125413-66-3
1,2,3,4-chrysenetetrone
| Conditions | Yield |
|---|---|
| With KO2; 18-crown-6 ether In N,N-dimethyl-formamide for 20h; Ambient temperature; | A 84 % Chromat. B 8 % Chromat. |
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63383-46-0
1-(trimethylsiloxy)-1,3-butadiene
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-
100900-16-1
benz-1,4-phenanthrenequinone
| 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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100900-16-1
benz-1,4-phenanthrenequinone
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72915-12-9
O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine hydrochloride
| Conditions | Yield |
|---|---|
| In methanol at 20℃; for 24h; |
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100900-16-1
benz-1,4-phenanthrenequinone
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109804-92-4
1,4-dimethoxy-chrysene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Na2S2O4; dioxane; SnCl2 / weitere Reagenzien: wss. HCl, Essigsaeure View Scheme |
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100900-16-1
benz-1,4-phenanthrenequinone
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-
130672-01-4
1,4-dihydroxy-chrysene-5,6-dione
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: zinc-powder; pyridine 2: CrO3; Na2CrO4; acetic acid / Reagens 4: Acetanhydrid , Behandeln des Reaktionsprodukts mit wss.NaOH View Scheme |
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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