CAS No.90-44-8,Anthrone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	90-44-8
Name:	Anthrone
Article Data:	164

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

Synthetic route

: 612-35-1
2-Benzylbenzoic acid

: 90-44-8
anthracen-9(10H)-one

Conditions

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

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

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

: [(C12H8N2)2Mn(μ-O)2Mn(C12H8N2)2](ClO4)4

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

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%

...Expand

: 613-31-0
9,10-dihydroanthracene

: 90-44-8
anthracen-9(10H)-one

Conditions

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-)2H2O2Cu(1+)*C3H7NO In water at 20℃; for 4h; Reagent/catalyst; Sonication;	87%

: 611-63-2
9,10-dihydroanthracen-9-ol

: 90-44-8
anthracen-9(10H)-one

Conditions

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%

: 1499-12-3
9-acetoxyanthracene

: 90-44-8
anthracen-9(10H)-one

Conditions

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

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%

...Expand

: C24H20O

A: 90-44-8
anthracen-9(10H)-one

B: 118620-70-5
1,5-cyclodecadiyne

Conditions

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

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: Harmful Xn Irritant 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.