CAS No.128-59-6,DIHYDROXYDIBENZANTHRONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	128-59-6
Name:	DIHYDROXYDIBENZANTHRONE
Article Data:	10

Formula:	C₃₄H₁₆O₄
Molecular Weight:	488.499
Synonyms:	Violanthrone,16,17-dihydroxy- (7CI,8CI);16,17-Dihydroxydibenzanthrone;16,17-Dihydroxyviolanthrone;NSC 23126;Dihydro-dinaphthol(1,2,3-cd:3',2',1'-im)perylene-5,10-dione;Dihydroxydibenzanthrone;Violanthrone, 16,17-dihydroxy-;
EINECS:	204-897-1
Density:	1.608 g/cm³
Melting Point:	95 °C
Boiling Point:	543.71°C (rough estimate)
Appearance:	dark green to blue powder
Hazard Symbols:	Xn
Risk Codes:	R22; R41
PSA:	74.60000
LogP:	7.57120

Synthetic route

: 82-05-3
7H-benz[d,e]anthracene-7-one

: 128-59-6
16,17-dihydroxyviolanthrene-5,10-dione

Conditions

Conditions	Yield
With manganese(IV) oxide; sulfuric acid Verschmelzen des Reaktionsprodukts mit Alkalihydroxyd;

: 116-90-5
4,4'-dibenzanthronyl

: 128-59-6
16,17-dihydroxyviolanthrene-5,10-dione

Conditions

Conditions	Yield
With manganese(IV) oxide; sulfuric acid

: 116-71-2
isoviolanthrone

: 128-59-6
16,17-dihydroxyviolanthrene-5,10-dione

Conditions

Conditions	Yield
With sodium hydroxide; zinc anschlissenden Behandeln mit H2S;
With sodium hydroxide; zinc anschlissenden Behandeln mit Luft bei 90grad;
With sodium hydroxide; alkaline aqueous Na2S2O4 anschlissenden Behandeln mit Luft bei 90grad;

: 128-58-5
Jade Green XBN

: 128-59-6
16,17-dihydroxyviolanthrene-5,10-dione

Conditions

Conditions	Yield
Stage #1: Jade Green XBN In dichloromethane at 20℃; for 1h; Stage #2: With boron tribromide In dichloromethane at 20℃; for 16h; Reflux; Cooling with ice;

: 112-29-8
1-bromo dodecane

: 128-59-6
16,17-dihydroxyviolanthrene-5,10-dione

: 16,17-didecyloxyviolanthrone

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium carbonate In N,N-dimethyl-formamide at 80℃; for 5h; Williamson Ether Synthesis;	74%

: 111-83-1
1-bromo-octane

: 128-59-6
16,17-dihydroxyviolanthrene-5,10-dione

: 85652-50-2
16,17-bis(octyloxy)-anthra[9,1,2-cde-]benzo[rst]pentaphene-5,10-dione

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium carbonate In 1-methyl-pyrrolidin-2-one at 100℃; for 8h; Williamson Ether Synthesis;	72%
Stage #1: 16,17-dihydroxyviolanthrene-5,10-dione With potassium carbonate In N,N-dimethyl-formamide at 120℃; Stage #2: 1-bromo-octane In N,N-dimethyl-formamide at 120 - 130℃; for 11h;	12.5%
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 12h;

: 128-59-6
16,17-dihydroxyviolanthrene-5,10-dione

: 143-15-7
1-dodecylbromide

: 16,17-didodecyloxyviolanthrone

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium carbonate In dimethyl sulfoxide at 100℃; for 5h; Williamson Ether Synthesis;	69%

: 128-59-6
16,17-dihydroxyviolanthrene-5,10-dione

: 98-88-4
benzoyl chloride

: 19339-25-4
Leuco-16,17-dihydroxy-violanthron-tetrabenzoat

Conditions

Conditions	Yield
With pyridine; zinc

: 111-25-1
1-bromo-hexane

: 128-59-6
16,17-dihydroxyviolanthrene-5,10-dione

: 25637-03-0
16,17-bis(hexyloxy)-anthra[9,1,2-cde-]benzo[rst]pentaphene-5,10-dione

Conditions

Conditions	Yield
With potassium carbonate
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 12h;
With 18-crown-6 ether; potassium carbonate In N,N-dimethyl-formamide at 80℃; for 12h; Williamson Ether Synthesis;

: 128-59-6
16,17-dihydroxyviolanthrene-5,10-dione

: mercury(II) sulfate

nitrosylsulfuric acid: nitrosylsulfuric acid

15.16.17-trihydroxy-violanthrenedione-(5.10): 15.16.17-trihydroxy-violanthrenedione-(5.10)

Conditions

Conditions	Yield
at 150℃;

...Expand

Raw Materials

116-90-5

82-05-3

116-71-2

Downstream Products

85652-50-2

116-71-2

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The systematic name of 16,17-Dihydroxyviolanthrene-5,10-dione is 16,17-dihydroxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione. With the CAS registry number 128-59-6, it is also named as Violanthrone, 16,17-dihydroxy-. The product's category is Organics. In addition, its molecular formula is C₃₄H₁₆O₄ and molecular weight is 488.49.

The other characteristics of 16,17-Dihydroxyviolanthrene-5,10-dione can be summarized as: (1)EINECS: 204-897-1; (2)ACD/LogP: 7.63; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 7.63; (5)ACD/LogD (pH 7.4): 7.55; (6)ACD/BCF (pH 5.5): 371413.84; (7)ACD/BCF (pH 7.4): 310252.25; (8)ACD/KOC (pH 5.5): 337418.34; (9)ACD/KOC (pH 7.4): 281854.88; (10)#H bond acceptors: 4; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 52.6 Å²; (14)Index of Refraction: 1.975; (15)Molar Refractivity: 149.41 cm³; (16)Molar Volume: 303.7 cm³; (17)Polarizability: 59.23×10^-24cm³; (18)Surface Tension: 97.9 dyne/cm; (19)Density: 1.608 g/cm³.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C2c9c1c8c(c(O)cc1c3ccccc23)c6c(O)cc5c4ccccc4C(=O)c7c5c6c(cc7)c8cc9
(2)InChI: InChI=1/C34H16O4/c35-25-13-23-15-5-1-3-7-19(15)33(37)21-11-9-17-18-10-12-22-28-24(16-6-2-4-8-20(16)34(22)38)14-26(36)32(30(18)28)31(25)29(17)27(21)23/h1-14,35-36H
(3)InChIKey: MGYICCKROPVHMA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C34H16O4/c35-25-13-23-15-5-1-3-7-19(15)33(37)21-11-9-17-18-10-12-22-28-24(16-6-2-4-8-20(16)34(22)38)14-26(36)32(30(18)28)31(25)29(17)27(21)23/h1-14,35-36H
(5)Std. InChIKey: MGYICCKROPVHMA-UHFFFAOYSA-N