Product Name

  • Name

    DIHYDROXYDIBENZANTHRONE

  • EINECS 204-897-1
  • CAS No. 128-59-6
  • Article Data10
  • CAS DataBase
  • Density 1.608 g/cm3
  • Solubility
  • Melting Point 95 °C
  • Formula C34H16O4
  • Boiling Point 543.71°C (rough estimate)
  • Molecular Weight 488.499
  • Flash Point
  • Transport Information
  • Appearance dark green to blue powder
  • Safety
  • Risk Codes R22; R41
  • Molecular Structure Molecular Structure of 128-59-6 (DIHYDROXYDIBENZANTHRONE)
  • Hazard Symbols Xn
  • 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-;
  • PSA 74.60000
  • LogP 7.57120

Synthetic route

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

7H-benz[d,e]anthracene-7-one

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

16,17-dihydroxyviolanthrene-5,10-dione

Conditions
ConditionsYield
With manganese(IV) oxide; sulfuric acid Verschmelzen des Reaktionsprodukts mit Alkalihydroxyd;
4,4'-dibenzanthronyl
116-90-5

4,4'-dibenzanthronyl

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

16,17-dihydroxyviolanthrene-5,10-dione

Conditions
ConditionsYield
With manganese(IV) oxide; sulfuric acid
isoviolanthrone
116-71-2

isoviolanthrone

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

16,17-dihydroxyviolanthrene-5,10-dione

Conditions
ConditionsYield
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;
Jade Green XBN
128-58-5

Jade Green XBN

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

16,17-dihydroxyviolanthrene-5,10-dione

Conditions
ConditionsYield
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;
1-bromo dodecane
112-29-8

1-bromo dodecane

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

16,17-dihydroxyviolanthrene-5,10-dione

16,17-didecyloxyviolanthrone

16,17-didecyloxyviolanthrone

Conditions
ConditionsYield
With 18-crown-6 ether; potassium carbonate In N,N-dimethyl-formamide at 80℃; for 5h; Williamson Ether Synthesis;74%
1-bromo-octane
111-83-1

1-bromo-octane

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

16,17-dihydroxyviolanthrene-5,10-dione

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

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

Conditions
ConditionsYield
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;
16,17-dihydroxyviolanthrene-5,10-dione
128-59-6

16,17-dihydroxyviolanthrene-5,10-dione

1-dodecylbromide
143-15-7

1-dodecylbromide

16,17-didodecyloxyviolanthrone

16,17-didodecyloxyviolanthrone

Conditions
ConditionsYield
With 18-crown-6 ether; potassium carbonate In dimethyl sulfoxide at 100℃; for 5h; Williamson Ether Synthesis;69%
16,17-dihydroxyviolanthrene-5,10-dione
128-59-6

16,17-dihydroxyviolanthrene-5,10-dione

benzoyl chloride
98-88-4

benzoyl chloride

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

Leuco-16,17-dihydroxy-violanthron-tetrabenzoat

Conditions
ConditionsYield
With pyridine; zinc
1-bromo-hexane
111-25-1

1-bromo-hexane

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

16,17-dihydroxyviolanthrene-5,10-dione

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

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

Conditions
ConditionsYield
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;
16,17-dihydroxyviolanthrene-5,10-dione
128-59-6

16,17-dihydroxyviolanthrene-5,10-dione

mercury(II) sulfate

mercury(II) sulfate

nitrosylsulfuric acid

nitrosylsulfuric acid

15.16.17-trihydroxy-violanthrenedione-(5.10)

15.16.17-trihydroxy-violanthrenedione-(5.10)

Conditions
ConditionsYield
at 150℃;
...Expand
16,17-dihydroxyviolanthrene-5,10-dione
128-59-6

16,17-dihydroxyviolanthrene-5,10-dione

nitric acid
7697-37-2

nitric acid

acetic acid
64-19-7

acetic acid

15.18-dinitro-16.17-dihydroxy-violanthrenedione-(5.10)(?)

15.18-dinitro-16.17-dihydroxy-violanthrenedione-(5.10)(?)

...Expand
16,17-dihydroxyviolanthrene-5,10-dione
128-59-6

16,17-dihydroxyviolanthrene-5,10-dione

nitric acid
7697-37-2

nitric acid

isoviolanthrone
116-71-2

isoviolanthrone

pyridine
110-86-1

pyridine

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

16,17-dihydroxyviolanthrene-5,10-dione

Stearoyl chloride
112-76-5

Stearoyl chloride

zinc

zinc

5,10,16,17-tetrakis-stearoyloxy-anthra[9,1,2-cde]benzo[rst]pentaphene

5,10,16,17-tetrakis-stearoyloxy-anthra[9,1,2-cde]benzo[rst]pentaphene

...Expand
16,17-dihydroxyviolanthrene-5,10-dione
128-59-6

16,17-dihydroxyviolanthrene-5,10-dione

nitrobenzene
98-95-3

nitrobenzene

dimethyl sulfate
77-78-1

dimethyl sulfate

sodium carbonate

sodium carbonate

bz2.bz2'-dimethoxy-violanthrone

bz2.bz2'-dimethoxy-violanthrone

...Expand
2-ethylhexyl bromide
18908-66-2

2-ethylhexyl bromide

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

16,17-dihydroxyviolanthrene-5,10-dione

16,17-bis(2-ethylhexyloxy)-anthra[9,1,2-cde-]benzo[rst]pentaphene-5,10-dione
1027311-37-0

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

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 12h;

16,17-Dihydroxyviolanthrene-5,10-dione Consensus Reports

Reported in EPA TSCA Inventory.

16,17-Dihydroxyviolanthrene-5,10-dione 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

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