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Vat Violet 10

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Name

Vat Violet 10

EINECS 204-901-1
CAS No. 128-64-3 Density 1.487g/cm3
PSA 34.14000 LogP 8.16000
Solubility N/A Melting Point N/A
Formula C34H16O2 Boiling Point N/A
Molecular Weight 456.5 Flash Point N/A
Transport Information N/A Appearance dark powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 128-64-3 (Vat Violet 10) Hazard Symbols N/A
Synonyms

Isoviolanthrone(7CI,8CI);Benzadone Violet B;C.I. 60000;C.I. Vat Violet 10;CarbanthrenePrinting Violet 2R;Dinaphtho[1,2,3-cd:1',2',3'-lm]perylene-9,18-dione;Isodibenzanthrone;Isothrene;Isoviolanthrone A;Izodibenzantron;NSC 5268;Paradone Brilliant Violet 2R;Paradone Violet B New;Romantrene BrilliantViolet 4R;Romantrene Brilliant Violet F 2R;Romantrene Brilliant Violet F 4R;Romantrene Violet 2R;

Article Data 43

Vat Violet 10 Synthetic route

82-05-3

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

128-64-3

isoviolanthrone

Conditions
ConditionsYield
With 2,6-dichloro-benzonitrile; potassium tert-butylate at 170℃;95%
With potassium hydroxide; ethanol at 130℃; weitere Reagentien: Kerosin, Chlorbenzol;
With potassium hydroxide; isopropyl alcohol at 130℃; weitere Reagentien: Kerosin, Chlorbenzol;
81-96-9

3-bromobenzanthrone

128-64-3

isoviolanthrone

Conditions
ConditionsYield
With potassium ethoxide In ethanol at 150 - 160℃; for 2h;70%
With sodium ethanolate at 120 - 130℃;
82-05-3

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

6409-44-5

3-chloro-7H-benzo(de)anthracen-7-one

141-52-6

sodium ethanolate

128-64-3

isoviolanthrone

Conditions
ConditionsYield
at 105 - 110℃;
82-05-3

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

6409-44-5

3-chloro-7H-benzo(de)anthracen-7-one

128-64-3

isoviolanthrone

Conditions
ConditionsYield
With potassium hydroxide; sodium ethanolate; xylene at 70 - 75℃;
With potassium hydroxide; isopropyl alcohol; benzene at 10 - 15℃;
With sodium ethanolate at 105 - 110℃;
82-05-3

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

81-96-9

3-bromobenzanthrone

141-52-6

sodium ethanolate

128-64-3

isoviolanthrone

Conditions
ConditionsYield
at 105 - 110℃;
at 105 - 110℃; nachfolgend Einw. von Luft;
82-05-3

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

81-96-9

3-bromobenzanthrone

128-64-3

isoviolanthrone

Conditions
ConditionsYield
With potassium hydroxide; sodium ethanolate; xylene at 70 - 75℃;
With potassium hydroxide; isopropyl alcohol; benzene at 10 - 15℃;
With sodium ethanolate at 105 - 110℃;
82-05-3

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

81232-52-2

3-p-tolylsulfanyl-benz[de]anthracen-7-one

141-52-6

sodium ethanolate

128-64-3

isoviolanthrone

Conditions
ConditionsYield
at 105 - 110℃;
82-05-3

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

A

116-71-2

isoviolanthrone

B

128-64-3

isoviolanthrone

Conditions
ConditionsYield
With methanol; potassium hydroxide
With methanol; potassium hydroxide at 170 - 180℃; Behandeln des Reaktionsprodukts mit Luft;
With potassium hydroxide; ethanol at 170 - 180℃; Behandeln des Reaktionsprodukts mit Luft;
6409-44-5

3-chloro-7H-benzo(de)anthracen-7-one

128-64-3

isoviolanthrone

Conditions
ConditionsYield
With potassium hydroxide; isopropyl alcohol; benzene at 10 - 15℃;
With potassium hydroxide; benzaldehyde; 1,2,3-trichlorobenzene at 80 - 90℃;
With potassium hydroxide; ethanol; sodium at 145℃;
81-96-9

3-bromobenzanthrone

141-52-6

sodium ethanolate

128-64-3

isoviolanthrone

Conditions
ConditionsYield
at 120 - 130℃; Behandeln mit Luft;

Vat Violet 10 Specification

The CAS register number of Vat Violet 10 is 128-64-3. It also can be called as Benzadone Violet B and the systematic name about this chemical is benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione. The molecular formula about this chemical is C34H16O2 and the molecular weight is 456.49. It belongs to the Organics.

Physical properties about Vat Violet 10 are: (1)ACD/LogP: 9.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.13; (4)ACD/LogD (pH 7.4): 9.13; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2192810.25; (8)ACD/KOC (pH 7.4): 2192810.25; (9)#H bond acceptors: 2; (10)Polar Surface Area: 34.14Å2; (11)Index of Refraction: 1.926; (12)Molar Refractivity: 145.65 cm3; (13)Molar Volume: 306.8 cm3; (14)Polarizability: 57.74x10-24cm3; (15)Surface Tension: 82.5 dyne/cm.

Preparation: this chemical can be prepared by benzo[de]anthracen-7-one. This reaction will need reagent t-BuOK and DBN. The reaction temperature is 170 ℃. The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c9ccccc9c8c1c7c(ccc12)c5ccc4c3ccccc3C(=O)c6c4c5c(cc6)c7cc8
(2)InChI: InChI=1/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-24-14-16-28-32-20(18-6-2-4-8-26(18)34(28)36)10-12-22(30(24)32)23-13-15-27(33)31(19)29(21)23/h1-16H
(3)InChIKey: BSIHWSXXPBAGTC-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-24-14-16-28-32-20(18-6-2-4-8-26(18)34(28)36)10-12-22(30(24)32)23-13-15-27(33)31(19)29(21)23/h1-16H
(5)Std. InChIKey: BSIHWSXXPBAGTC-UHFFFAOYSA-N

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