CAS No.1047-16-1,Quinacridone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1047-16-1
Name:	Quinacridone
Article Data:	17

Formula:	C₂₀H₁₂N₂O₂
Molecular Weight:	312.327
Synonyms:	Cinquasia Violet R;Dark violet;Fastogen Red 7094Y;Hostaperm Red E 2B70;Hostaperm Red E 3B;HostapermRed E 5B;Hostaperm Red E 5B02;Hostaperm Red E 5B02IN;Hostaperm Red VioletER;Hostaperm Red Violet ER 02;Hostaperm Red Violet ER 02-13-7011;HostapermRed Violet ERX;Hostaperm Red Violet ERX-WD;Ink Jet Magenta E 5B02VP2984;Lionogen Magenta FG 5700;Lionogen Red 5700;Magenta RT 238D;Magenta RT 355D;Mobay R 6700;Monastral Red;Monastral Red B;Monastral Red B-RT 796D;Monastral Red RT 759D;Monastral Red RT 790D;PV Fast Violet ER;PaliogenRed BG;Paliogen Red L 4470;Permanent magenta;Pigment Pink Quinacridone S;PigmentQuinacridone Red;Pigment Violet 19;Pigment Violet GC 227A;Pigment VioletQuinacridone;Polytrend 850-9440;Quinacridone Red MC;Quinacridone Red Y;Quinacridone Violet MC;5,12-Dihydroquino[2,3-b]acridine-7,14-dione;5,7,12,14-Tetrahydro[2,3-b]quinolinoacridine;Acramin Pink BC;Acramin Pink BN;
EINECS:	213-879-2
Density:	1.371 g/cm³
Melting Point:	390 °C
Boiling Point:	568.5 °C at 760 mmHg
Flash Point:	221.3 °C
Solubility:	Insoluble in water
Appearance:	red powder
Safety:	24/25
PSA:	65.72000
LogP:	3.67600

Synthetic route

: 10109-95-2
2,5-di(phenylamino)-terephthalic acid

: 1047-16-1
Quinacridone

Conditions

Conditions	Yield
With polyphosphoric acid PPA at 125℃; for 6h; Dieckmann Condensation;	99.43%
With PPA at 20 - 130℃; for 1.5h; Product distribution / selectivity;	90%
With boric acid

: 5862-38-4
5,6,12,13-tetrahydro-quino[2,3-b]acridine-7,14-dione

: 1047-16-1
Quinacridone

Conditions

Conditions	Yield
Stage #1: 5,6,12,13-tetrahydro-quino[2,3-b]acridine-7,14-dione With sodium hydroxide In methanol; water at 20 - 30℃; for 0.5h; Stage #2: With sulfuric acid In methanol; water for 1h; Heating / reflux; Stage #3: With sodium 3-nitrobenzenesulfonate In methanol; water for 4h; Product distribution / selectivity; Heating / reflux;	99%
Stage #1: 5,6,12,13-tetrahydro-quino[2,3-b]acridine-7,14-dione With sodium methylate In methanol at 20 - 50℃; for 0.25h; Stage #2: With sodium 3-nitrobenzenesulfonate In methanol for 4h; Product distribution / selectivity; Heating / reflux;	98%
Stage #1: 5,6,12,13-tetrahydro-quino[2,3-b]acridine-7,14-dione With polyvinyl pyrrolidone In methanol at 20 - 27℃; for 0.166667h; Stage #2: With sodium hydroxide In methanol; water at 50 - 53℃; for 0.833333h; Heating / reflux; Stage #3: With dihydrogen peroxide; anthraquinone-2,7-disulfonic acid In methanol; water for 0.166667h; Product distribution / selectivity; Heating / reflux;

: 4898-56-0
2,5-dianilino-3,6-dihydroterephthalic acid diethyl ester

: 1047-16-1
Quinacridone

Conditions

Conditions	Yield
With diphenylether; biphenyl Erhitzen des Reaktionsprodukts mit dem Natrium-Salz der 3-Nitro-benzolsulfonsaeure in wss. NaOH und Aethylenglykol;
With diphenylether; biphenyl Erhitzen des Reaktionsprodukts mit dem Natrium-Salz der 3-Nitro-benzolsulfonsaeure in wss.-aethanol. NaOH;

: 67906-32-5
C21H18N2O4

: 10109-95-2
2,5-di(phenylamino)-terephthalic acid

: 10291-28-8
2,5-di(4'-methylphenylamino)terephthalic acid

A: 1047-16-1
Quinacridone

B: 980-26-7
C.I. Pigment Red 122

C: 10228-01-0
5,12-dihydro-2-methylquino[2,3-b]acridine-7,14-dione

Conditions

Conditions	Yield
With PPA at 90 - 125℃; for 3h;
With PPA at 90 - 125℃; for 3h;
With PPA at 90 - 125℃; for 3h;
With PPA at 90 - 125℃; for 3h;

...Expand

: 6,13-dihydroquinacridone-di-sodium salt

: 1047-16-1
Quinacridone

Conditions

Conditions	Yield
Stage #1: 6,13-dihydroquinacridone-di-sodium salt With dihydrogen peroxide; anthraquinone-2,7-disulphonic acid disodium salt In methanol; water at 20 - 60℃; for 0.25h; Heating / reflux; Stage #2: In water

: 14297-60-0
2,5-dianilinoterephthalic acid dimethyl ester

: 1047-16-1
Quinacridone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium hydroxide / 3 h / 110 °C / Reflux 2: polyphosphoric acid PPA / 6 h / 125 °C View Scheme

: 10109-95-2
2,5-di(phenylamino)-terephthalic acid

: C22H17N3O3

A: 1047-16-1
Quinacridone

B: C21H13N3O2

Conditions

Conditions	Yield
With polyphosphoric acid at 120 - 130℃; for 2h;

...Expand

p-formaldehyde: p-formaldehyde

: 1047-16-1
Quinacridone

: 81-33-4
3,4,9,10-perylene tetracarboxyxlic acid diimide

: C66H34N6O8

Conditions

Conditions	Yield
Stage #1: p-formaldehyde; 3,4,9,10-perylene tetracarboxyxlic acid diimide With polyphosporic acid at 105℃; for 1.5h; Stage #2: Quinacridone at 125℃; for 3h;	100%
Stage #1: p-formaldehyde; 3,4,9,10-perylene tetracarboxyxlic acid diimide With sulfuric acid at 45℃; for 1h; Stage #2: Quinacridone at 45℃; for 3h;	99.7%
Stage #1: p-formaldehyde; 3,4,9,10-perylene tetracarboxyxlic acid diimide With sulfuric acid; sulfur trioxide at 45℃; for 1h; Stage #2: Quinacridone at 45℃; for 3h;	89%

...Expand

: 24424-99-5
di-tert-butyl dicarbonate

: 1047-16-1
Quinacridone

: N,N-di(tert-butylcarboxyl)-trans-quinacridone

Conditions

Conditions	Yield
With dmap In tetrahydrofuran at 20℃; regioselective reaction;	99%
With dmap In dichloromethane at 20℃; for 24h; Inert atmosphere; Schlenk technique;	65.5%
With dmap In tetrahydrofuran at 20℃; for 24h;	60%
With dmap In tetrahydrofuran at 20℃; Inert atmosphere; Schlenk technique; Darkness;	58%
With dmap In dichloromethane at 20℃; for 48h; Inert atmosphere;	56%

: 1047-16-1
Quinacridone

: 79-04-9
chloroacetyl chloride

: 2,9-dichloroacetylquinacridone

Conditions

Conditions	Yield
With aluminum (III) chloride In 1,2-dichloro-ethane at 0℃; for 24h;	97%

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Specification

The CAS registry number of Pigment Violet 19 is 1047-16-1. Its EINECS registry number is 213-879-2. The IUPAC is 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione. In addition, the molecular formula is C₂₀H₁₂N₂O₂ and the molecular weight is 312.32. It is also called quino(2,3-b)acridine-7,14-dione, 5,12-dihydro-. What's more, it belongs to the classes of Electroluminescence; Functional Materials; Highly Purified Reagents; Other Categories; Refined Products by Sublimation. And it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.53; (2)ACD/LogD (pH 5.5): 2.53; (3)ACD/LogD (pH 7.4): 2.53; (4)ACD/BCF (pH 5.5): 49.2; (5)ACD/BCF (pH 7.4): 49.2; (6)ACD/KOC (pH 5.5): 565.85; (7)ACD/KOC (pH 7.4): 565.85; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)Polar Surface Area: 40.62 Å²; (11)Index of Refraction: 1.702; (12)Molar Refractivity: 88.29 cm³; (13)Molar Volume: 227.7 cm³; (14)Polarizability: 35 ×10^-24cm³; (15)Surface Tension: 58.6 dyne/cm; (16)Density: 1.371 g/cm³; (17)Flash Point: 221.3 °C; (18)Enthalpy of Vaporization: 85.31 kJ/mol; (19)Boiling Point: 568.5 °C at 760 mmHg; (20)Vapour Pressure: 6.14E-13 mmHg at 25°C.

Uses of Pigment Violet 19: It is used as a pigment to make high performance paints. And it can also be used in artist's paints, including oils, acrylics, and watercolors. In addition, it can react with 2-iodo-propane to get 5,12-diisopropyl-5,12-dihydro-quino[2,3-b]acridine-7,14-dione. This reaction will need reagent 50percent NaOH, catalyst triethylbenzylammonium chloride and solvents toluene and H₂O. The reaction time is 32 hours at reaction temperature of 80 °C. The yield is about 50%.

Pigment Violet 19 can react with 2-iodo-propane to get 5,12-diisopropyl-5,12-dihydro-quino[2,3-b]acridine-7,14-dione

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4c5ccccc5Nc3cc2C(=O)c1c(cccc1)Nc2cc34
(2)InChI: InChI=1/C20H12N2O2/c23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24/h1-10H,(H,21,23)(H,22,24)
(3)InChIKey: NRCMAYZCPIVABH-UHFFFAOYAK

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD	skin	> 2mL/kg (2mL/kg)		National Technical Information Service. Vol. OTS0533795,
rat	LD50	oral	> 20mL/kg (20mL/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	National Technical Information Service. Vol. OTS0533794,