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5,12-Dihydrochino[2,3-b]acridin-7,14-dion

Quinacridone

HCID 13976
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Grundinformationen

CAS
1047-16-1
Standard-SMILES
O=c1c2ccccc2[nH]c2cc3c(=O)c4ccccc4[nH]c3cc12
InChIKey
NRCMAYZCPIVABH-UHFFFAOYSA-N
Summenformel
C20H12N2O2
Durchschnittliche Molmasse
312,3 g/mol
Monoisotopische Masse
312,08987762

Überblick

Quinacridone is an organonitrogen heterocyclic compound and an organic heterotetracyclic compound.

Namen und Bezeichner

Bevorzugter Name
Quinacridone
IUPAC
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
Lokaler Name
5,12-Dihydrochino[2,3-b]acridin-7,14-dion
Englischer Name
Quinacridone
Summenformel
C20H12N2O2
Molmasse
312.32

Namen und Synonyme

Quinacridone1047-16-1CINQUASIA REDMonastral RedQuinacridone violetMonastral Violet RSunfast VioletCinquasia Red BCinquasia Red YMonastral Red BMonastral Red YMonastrol Red Y
Weitere Namen anzeigen
PIGMENT VIOLET 19Violet 195,12-dihydroquino[2,3-b]acridine-7,14-dione3-b)acridine-7,14-dione,5,12-dihydro-quino(5,12-dihydroquinolino[2,3-b]acridine-7,14-dione5,12-dihydroquinolino[2,3-b]acridine-7,14-quinonee3bredrede3bci46500CI 73900
Permanent MagentaPaliogen Red BGCinquasia Violet RDark violetSunfast Red 19Cinquasia VioletQuinacridone RedQuinacridone Red MC

Datenbank-Bezeichner

CAS

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
4
Polarare Oberfläche (TPSA)
58,2 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
0
Schwere Atome
24
Formalladung
0
Komplexität
500

Experimentelle und physikochemische Eigenschaften

Chemical ClassesDyes -> Acridine Dyes
Polymers · 2 Einträge

Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS

Plastics -> Pigments agents

CosmeticsHair dyeing; Cosmetic colorant
SpringerMaterials PropertiesCrystal structure
LogP1.9 (estimated)
Density1.5
Color/Form · 2 Einträge

Red to violet solid with blueish or yellowish tint depending upon crystalline form.

particle characteristics: thin plates

Solubility · 2 Einträge

Insoluble in water

Insoluble in organic solvents and dispersion media.

Melting Point390 °C

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 99.6% (760 of 763) of all reports.

Not Classified

Aggregated GHS information provided per 763 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro-

Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 23-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14755

Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

Skin reactions have been reported: inflammation in a tattoo after sun exposure and acne-like changes on the face of a child colored with a red felt-tip pen; Also acne-like reaction on the skin of rabbits after coloring with red felt-tip pen; [HSDB] No known adverse effects on human health; Not an irritant; Not a sensitizer; [MSDSonline] See Acridine.

Special Reports · 2 Einträge

A BRIEF DESCRIPTION OF THE CHEMICAL PROPERTIES, DEVELOPMENT, & EFFORTS TOWARD GAINING APPROVAL OF THE QUINACRIDONE PIGMENT VIOLET #19 (LINEAR TRANS QUINACRIDONE) BY THE FDA IS PRESENTED.[VIOLET #19--POTENTIAL NEW COSMETIC COLOR; COSMET TOILET 94(MAY) 19 (1979)]

[ITC/USEPA; Information Review #315 (Draft) Cinquasia Red 1982]

TSCA Requirements

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Verwendung und Herstellung

Uses · 6 Einträge

Used as pigment (paints, printing inks, plastics, rubber, alkyd resin enamels, textile emulsion inks, textiles, nitrocellulose, vinyl, and acrylic lacquers) and sensitizing dye in color photo electrophoresis; Used to tone and make other pigments; [HSDB]

Painting (Pigments, Binders, and Biocides) [Category: Paint]

PAINTS, PRINTING INKS, PLASTICS, RUBBER

Cinquasia red is used a sensitizing dye in color photoelectrophoresis.

Pigment in textiles

As colorants for plastics, quinacridone pigments may be used in all resins except nylon-66 and polystyrene./Quinacridone Pigments/

U.S. Exports · 2 Einträge

(1979) No Data

(1981) No Data

U.S. Imports · 2 Einträge

(1979) 2.49X10+7 GRAMS (PRINCPL CUSTMS DISTS)

(1981) 6.21X10+6 GRAMS (PRINCPL CUSTMS DISTS)

U.S. Production · 4 Einträge

2023: 1,000,000 - <2,500,000 lb

1.2 million lbs.

(1979) 7.11X10+8 GRAMS

(1981) 6.25X10+8 GRAMS

Consumption Patterns · 2 Einträge

Quinacridone pigment use in automotive finishes accounts for the majority of the consumption of cinquasia red, with lesser quantities finding end uses in PVC manufacturing and the textile industry.

ESSENTIALLY 100% AS A PIGMENT

Consumer UsesPigment
Industry UsesPigment
Methods of Manufacturing · 3 Einträge

Zugehörige Reaktionen

150
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 357502
HRID 357502als Produktuspto-grants-1998_11
Reaktionsgleichung von HRID 357503
HRID 357503als Produktuspto-grants-1998_11
Reaktionsgleichung von HRID 377009
HRID 377009als Produktuspto-grants-2000_02
Reaktionsgleichung von HRID 378533
HRID 378533als Produktuspto-grants-2000_02
Reaktionsgleichung von HRID 399178
HRID 399178als Produktuspto-grants-1998_10
Reaktionsgleichung von HRID 399181
HRID 399181als Produktuspto-grants-1998_10
Reaktionsgleichung von HRID 399182
HRID 399182als Produktuspto-grants-1998_10
Reaktionsgleichung von HRID 399183
HRID 399183als Produktuspto-grants-1998_10
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1047-16-1
PubChem CID
13976
DTXSID
DTXSID5027354
ChEBI
CHEBI:174977
UNII
11P487375P
EC Number
213-879-2
Nikkaji
J8.584G
Food Contact Substances · 4 Einträge

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Refractive IndexRefractive index: quinacridine red (gamma), n(Na) Av. 2.04; quinacridine red (beta), Av. 2.02
Physical Description · 3 Einträge

Liquid; Other Solid; Dry Powder; Other Solid; CBI

Red to violet solid; Bluish or yellowish tint depending of form; [HSDB] Red odorless powder; [MSDSonline]

Solid

Physikochemische Eigenschaften

Schmelzpunkt
390 °C · 390 °C
Siedepunkt
568.5 · 568.5±50.0 °C(Predicted)
Dichte
1.5 g/cm3 · 1.5 g/cm3
storage temp.
Sealed in dry,Room Temperature
Aggregatzustand
Solid:nanomaterial
pka
-2.96 · -2.96±0.20(Predicted)
Farbe
Orange to Amber to Dark red
Kosmetik-Inhaltsstoffe Funktionen
COLORANTHAIR DYEING
LogP
2.2 at · 2.2 at 24℃ and pH7
CAS Datenbank
1047 · 1047-16-1(CAS DataBase Reference)
NIST chemische Informationen
2 · Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro-(1047-16-1)
EPA chemische Informationen
Quinacridone (1047-16-1)
Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use and exposure to EPA.
Hazard Classes and CategoriesNot Classified

Toxikologische Informationen

Environmental Fate · 3 Einträge

Much of cinquasia red will be bound up in the components of landfills, junkyards, and general dump sites.

Terrestrial: The insolubility of cinquasia red will cause it to collect in soils and sediments.

Aquatic: Due to its insolubility, cinquasia red may reside in the water column for a substantial period, long enough to become part of deep sea sediments.

Adverse EffectsDermatotoxin - PICD (photoirritant contact dermatitis).
Human Toxicity Excerpts · 2 Einträge

Two different red pigments used for tattooing were found to give rise to inflammatory reactions in the skin. No inorganic component was found in the pigments. NMR and MS analyses elucidated the molecular structures ... a red-violet pigment was found to be linear quinacridone. A strong exposure to UV-light was reported in most cases prior to the onset of the inflammation.

Acne-like changes were observed on a child's cheek after coloring them with a red felt tip pen. Numerous comedos appeared around a red tattoo colored with felt tip pen ink on a 16-yr-old girl.

Artificial Pollution Sources · 2 Einträge

Released to the environment as fugitive dust during manufacturing and end use.

EPA reported that the waste streams from the manufacture of cinquasia red are brines which contain small amounts of organic chemicals and strong acid wastes.

Environmental BiodegradationBiodegradation is expected to be slow. The strong crystal lattice (e.g. low sol) is partially responsible.
Environmental BioconcentrationCinquasia red should not bioconcentrate, since it is insoluble, and therefore, will not be taken up into the body.
Non-Human Toxicity Excerpts · 2 Einträge

Pigment Violet #19 was nonmutagenic by Ames test.

In rabbits ... /pigment violet 19/ in felt tip pens produced a comedo type reaction.

Probable Routes of Human Exposure17,082 workers were potentially exposed to cinquasia red in 1980 from the chemical, rubber, plastics and paper industries.

Regulatorische Informationen

TSCA RequirementsSection 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use and exposure to EPA.

Sicherheitsdaten

tsca
TSCA listed
hs_code
29339900
RTECS-Nr.
VA8533500
Toxizität
LD50 oral in rat: > 20mL/kg
safety_code
24/25
Giftige Stoffe Daten
1047-16-1(Hazardous Substances Data)

The major commercial production methods involve cyclization of 2,5-di(arylamino)terephthalic acids and esters.

The manufacturing process /of cinquasia red/ required three steps: (1) halogenation of terephthalic acid, (2) reaction of aniline with 2,5-dihaloterephthalic acid, and (3) cyclization of 2,5-dianilinoterephthalic acid to finished pigment.

HEATING OF DIALKYL(C1-C3)-2,5-DIARYLAMINO-3,6-DIHYDROTEREPHTHALATE IN AN INERT, HIGH-BOILING MEDIUM FOLLOWED BY OXIDATION

Household ProductsInformation on 2 consumer products that contain CI 73900 in the following categories is provided:
Use Classification · 3 Einträge

Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS

Plastics -> Pigments agents

Cosmetics -> Hair dyeing; Cosmetic colorant

General Manufacturing Information · 5 Einträge

Synthetic Dye and Pigment Manufacturing

Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro-: ACTIVE

Importer: American Hoechst Corporation, Rte 202-206 North, Bridgewater, NJ, 08876

Importer: Dainippon Ink & Chems. America Inc., 200 Park Avenue, New York, NY, 10017

Importer: BASF Wyandotte Corp., 100 Cherry Hill Rd., Parsippany, NJ, 07054.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

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Nachgelagerte Produkte

Pigment Red 122

Ergänzende Hinweise

DefinitionA lightfast pigment used in paints, printing inks, plastics, etc.