3D Mol Similar

Quinacridone

: Iupac Name：5,12-dihydroquinolino[2,3-b]acridine-7,14-dione; CAS No.: 1047-16-1; Molecular Weight：312.32; Modify Date.: 2023-04-08 12:17; Introduction: A lightfast pigment used inpaints, printing inks, plastics, etc. View more+

Request For Quotation

1. Names and Identifiers

: 1.1 Name; Quinacridone; 1.2 Synonyms; 3-b)acridine-7,14-dione,5,12-dihydro-quino( 3-b]acridine-7,14-dione,5,12-dihydro-quino[ 5,12-Dihydroquin[2,3-b]acridine-7,14-dione 5,12-Dihydroquin[2,3-b]acridine-7,14-dione Pigment Violet 19 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione 5,12-dihydroquinolino[2,3-b]acridine-7,14-quinone C.I.Pigment Red 122 [γ-type] EINECS 213-561-3 MFCD00059956 Pigment Violet 19 Pigment Violet 19 (technical product) Quindo Violet Quino[2,3-b]acridine-7,14-dione Quinolino[2,3-b]acridine-7,14-dione; View all

1.3 CAS No.: 1047-16-1

1.4 CID: 13976

1.5 EINECS(EC#): 213-879-2

1.6 Molecular Formula: C20H12N2O2 (isomer)

1.7 Inchi: InChI=1S/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)

1.8 InChIkey: NRCMAYZCPIVABH-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=CC=CC=C5N4

1.10 Isomers Smiles: C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=CC=CC=C5N4

2. Properties

2.1 Density: 1.371

2.1 Melting point: 390 °C

2.1 Boiling point: 568.5 °C at 760 mmHg

2.1 Refractive index: Refractive index: quinacridine red (gamma), n(Na) Av. 2.04; quinacridine red (beta), Av. 2.02

2.1 Flash Point: 221.3 °C

2.1 Precise Quality: 312.09000

2.1 PSA: 65.72000

2.1 logP: 3.67600

2.1 Λmax: 598(H2SO4)nm

2.2 AnalyticLaboratory Methods: CINQUASIA RED; DETERMINATION IN MOTOR VEHICLE PAINTS BY CHEMICAL TESTS.

2.3 Appearance: red powder

2.4 Chemical Properties: The parent compound Pigment Violet 19 exists in three polymorphic modifications. The red gamma and violet beta forms are commercial pigments, whereas the red alpha form is metastable.

2.5 Color/Form: Red to violet solid with blueish or yellowish tint depending upon crystalline form.
particle characteristics: thin plates

2.6 Physical: Solid

2.7 pKa: -2.96±0.20(Predicted)

2.8 Water Solubility: Insoluble in water

2.9 Spectral Properties: Refractive index: quinacridine red (gamma), n(Na) Av. 2.04; quinacridine red (beta), Av. 2.02

2.10 Stability: Stable up to 165 deg C

2.11 StorageTemp: Sealed in dry,Room Temperature

3. Use and Manufacturing

3.1 Definition: A lightfast pigment used inpaints, printing inks, plastics, etc. Quinacridone Preparation Products And Raw materials Preparation Products

3.2 GHS Classification: Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 492 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 491 of 492 companies. For more detailed information, please visit ECHA C&L website

Of the 1 notification(s) provided by 1 of 492 companies with hazard statement code(s):

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, and P362; View all

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

4. Safety and Handling

4.1 Safety Statements: 24/25

4.1 Octanol/Water Partition Coefficient: 1.9 (estimated)

4.2 RIDADR: VA8533500

4.2 RTECS: VA8533500

4.2 Safety: RTECS: VA8533500

4.3 Specification: Quinacridone (CAS NO.1047-16-1), its Synonyms are 5,12-Dihydroquino(2,3-b)acridine-7,14-dione ; Quino(2,3-b)acridine-7,14-dione, 5,12-dihydro- ; Cinquasia red ; Linear quinacridone ; Pigment violet 19 ; Fastogen Super Red BN ; Monastral Violet R ; Permanent Magenta . It is is a red powder.

4.4 Toxicity

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,

View all

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

6. NMR Spectrum

Mass spectrum (electron ionization)

7. Synthesis Route

1047-16-1Total: 5 Synthesis Route

5862-38-4

1047-16-1 124 Suppliers

Literatures:
MCA TECHNOLOGIES GMBH Patent: WO2005/85364 A1, 2005 ; Location in patent: Page/Page column 17 ;
Yield: ~99%

4898-56-0

1047-16-1 124 Suppliers

Literatures:
US2844484 , ;
Yield: null

10109-95-2 8 Suppliers

1047-16-1 124 Suppliers

Literatures:
MCA TECHNOLOGIES GMBH Patent: WO2005/85364 A1, 2005 ; Location in patent: Page/Page column 13 ;
Yield: ~90%

View all

8. Precursor and Product

precursor:

67906-32-5

10109-95-2

10291-28-8

4898-56-0

5862-38-4

product :

19205-19-7

99762-80-8

1503-48-6

9. Other Information

9.0 Chemical Properties: The parent compound Pigment Violet 19 exists in three polymorphic modifications. The red gamma and violet beta forms are commercial pigments, whereas the red alpha form is metastable.

9.1 Definition: A lightfast pigment used in paints, printing inks, plastics, etc.

9.2 TEST ITEMS: SPECIFICATION

9.3 APPEARANCE: VIOLET POWDER

9.4 SHADE: BLUISH

9.5 HEAT RESISTANCE: 300 °C min

9.6 LIGHT FASTNESS: 7-8

9.7 ACID RESISTANCE: 5

9.8 OIL ABSORPTION: 40-50%

9.9 SPECIFIC SURFACE: 30 m ² /g

9.10 DENSITY: 1.50 g/cm ³

9.11 RESIDUE ON 80 MESH: 5.0% max

9.12 WATER SOLUBLE: 1.0% max

9.13 TINTING STRENGTH: 100-105 %

10. Computational chemical data

Molecular Weight: 312.32g/mol
Molecular Formula: C₂₀H₁₂N₂O₂
Compound Is Canonicalized: True
XLogP3-AA: 4
Exact Mass: 312.089877630
Monoisotopic Mass: 312.089877630
Complexity: 500
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 58.2
Heavy Atom Count: 24
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAACxUAAAHgAQAAAADAyBmAAwwILAAACIAqRSQACCAAAlAgAIiAEAZMgIIHrAlZGEIYhgkADIyccciMCOQACAQAACAACAAQCAAAQAAAAAAAAAAA==