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| CAS No.: | 90-44-8 |
|---|---|
| Name: | Anthrone |
| Molecular Structure: | |
|
|
|
| Formula: | C14H10O |
| Molecular Weight: | 194.233 |
| Synonyms: | Anthrone(6CI,8CI);9-Oxoanthracene;Anthracene, 9,10-dihydro-9-oxo-;Carbothrone;NSC1965; |
| EINECS: | 201-994-0 |
| Density: | 1.194 g/cm3 |
| Melting Point: | 152-157 ºC |
| Boiling Point: | 343.4 ºC at 760 mmHg |
| Flash Point: | 150.3 ºC |
| Solubility: | insoluble in water |
| Appearance: | off-white to light yellow crystals |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36 |
| PSA: | 17.07000 |
| LogP: | 2.82180 |
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| Conditions | Yield |
|---|---|
| With pyrophosphoryl chloride at 20℃; for 0.5h; | 100% |
| With 2C2H3F3O*BF3 In dichloromethane Friedel-Crafts acylation; | 100% |
| With Nafion-H In various solvent(s) at 180℃; for 2h; Acylation; Friedel-Crafts intramolecular acylation; | 92% |
- 96913-94-9
9,10-bis(trimethylsilyl)-9,10-dihydro-9,10-epoxyanthracene
- 90-44-8
anthracen-9(10H)-one
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid In chloroform-d1 for 0.0833333h; | 100% |
- 92560-84-4
anthracen-9(10H)-one oxime
- 90-44-8
anthracen-9(10H)-one
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; tripropylammonium fluorochromate (VI) In acetone at 0 - 10℃; for 6.5h; | 97% |
| With CuCl*Kieselghur; oxygen In dichloromethane at 20℃; for 0.5h; | 85% |
- 613-31-0
9,10-dihydroanthracene
A
- 100685-12-9, 463965-74-4
[(1,10-phenanthroline)2Mn(η1-OClO3)2]
B
- 120-12-7
anthracene
C
- 90-44-8
anthracen-9(10H)-one
D
- 84-65-1
9,10-phenanthrenequinone
| Conditions | Yield |
|---|---|
| In acetonitrile Kinetics; the soln. in acetonitrile was allowed to stand overnight at room temp.; the organic products were detected by GC/MS; the soln. was layered with ether; | A n/a B 97% C 0.8% D 2% |
| Conditions | Yield |
|---|---|
| With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; cobalt(II) diacetate tetrahydrate In dichloromethane; water at 0 - 5℃; for 6h; pH=8.3; | 96% |
| With manganese(IV) oxide at 105℃; for 0.0416667 - 0.0666667h; Inert atmosphere; Microwave irradiation; | 90% |
| With tert.-butylhydroperoxide; 0.5C34H18N16(4-)*2H2O*2Cu(1+)*C3H7NO In water at 20℃; for 4h; Reagent/catalyst; Sonication; | 87% |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide In water; acetonitrile at 25℃; for 1.58333h; | 96% |
| With tert.-butylnitrite; oxygen; 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine; acetic acid In acetonitrile at 20℃; for 4.5h; Irradiation; | 87% |
| With ammonium nitrate; hydrogenchloride; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen In water; acetonitrile at 60℃; for 6h; Green chemistry; | 82% |
| Conditions | Yield |
|---|---|
| With porcine liver esterase In aq. phosphate buffer; dimethyl sulfoxide at 37℃; for 1h; pH=7.5; Reagent/catalyst; Enzymatic reaction; | 94% |
- 611-63-2
9,10-dihydroanthracen-9-ol
A
- 120-12-7
anthracene
B
- 90-44-8
anthracen-9(10H)-one
C
- 84-65-1
9,10-phenanthrenequinone
| Conditions | Yield |
|---|---|
| With aluminum oxide; Ru(OH)x; oxygen In para-xylene at 129.85℃; under 760 Torr; for 0.166667h; | A 91% B 7% C 2% |
| Conditions | Yield |
|---|---|
| With potassium hydride In tetrahydrofuran at 25℃; for 0.5h; | A n/a B 90% |
- 132556-02-6
Anthronesemicarbazone
- 90-44-8
anthracen-9(10H)-one
| Conditions | Yield |
|---|---|
| With potassium permanganate; silica gel In water at 20℃; for 0.25h; | 88% |
| With barium permanganate In acetonitrile for 4h; Heating; | 51% |
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Consensus Reports
Anthrone (CAS NO.90-44-8) is reported in EPA TSCA Inventory.
Specification
1.Introduction of Anthrone
The Anthrone, with its CAS NO 90-44-8, is a kind of off-white to light yellow crystals. It has synonyms of Anthrone(6CI,8CI);9-Oxoanthracene;Anthracene, 9,10-dihydro-9-oxo-;Carbothrone and NSC1965. Anthrone should be stored in a cool, dry place and in a tightly closed container. It is mainly used for a popular cellulose assay and in the colorometric determination of carbohydrates.
2.Properties of Anthrone
(1) Molecular Weight: 194.2286 (2) IUPAC Name: 10H-anthracen-9-one (3) Appearance: off-white to light yellow crystals
(4) Nominal Mass: 194 Da (5) Average Mass: 194.2286 Da (6) Monoisotopic Mass: 194.073165 Da
(7) Index of Refraction: 1.639 (8) Molar Refractivity: 58.53 cm3 (9) Molar Volume: 162.5 cm3
(10) Surface Tension: 48.7 dyne/cm (11) Density: 1.194 g/cm3 (12) Flash Point: 150.3 °C
(13) Enthalpy of Vaporization: 58.72 kJ/mol (14) Boiling Point: 343.4 °C at 760 mmHg (15) Vapour Pressure: 7.07E-05 mmHg at 25°C
3.Structure descriptors of Anthrone
IUPAC Name: 10H-anthracen-9-one
InChI: InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2
InChIKey: RJGDLRCDCYRQOQ-UHFFFAOYSA-NCanonical SMILES : C1C2=CC=CC=C2C(=O)C3=CC=CC=C31
4.Safety information of Anthrone
Hazard Codes: 
Xn
Xi
Risk Statements: 36/37/38-20/21/22
R36/37/38: Irritating to eyes, respiratory system and skin
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
WGK Germany: 3
RTECS: CB8925500
F: 8
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.