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Quinacridone(CAS No. 1047-16-1)

Quinacridone C20H12N2O2 (cas 1047-16-1) Molecular Structure

1047-16-1 Structure

Identification and Related Records

【Name】
Quinacridone
【CAS Registry number】
1047-16-1
【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(EC#)】
213-879-2
【Molecular Formula】
C20H12N2O2 (Products with the same molecular formula)
【Molecular Weight】
312.33
【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)
【InChIKey】
NRCMAYZCPIVABH-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=CC=CC=C5N4
【MOL File】
1047-16-1.mol

Chemical and Physical Properties

【Appearance】
red powder
【Density】
1.371 g/cm3
【Melting Point】
390 °C
【Boiling Point】
568.5 °C at 760 mmHg
【Flash Point】
221.3 °C
【Water】
Insoluble in water
【Solubilities】
Insoluble in water
【Color/Form】
Red to violet solid with blueish or yellowish tint depending upon crystalline form.
particle characteristics: thin plates
【Spectral properties】
Refractive index: quinacridine red (gamma), n(Na) Av. 2.04; quinacridine red (beta), Av. 2.02
【Computed Properties】
Molecular Weight:312.32148 [g/mol]
Molecular Formula:C20H12N2O2
XLogP3-AA:4
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:0
Tautomer Count:3
Exact Mass:312.089878
MonoIsotopic Mass:312.089878
Topological Polar Surface Area:58.2
Heavy Atom Count:24
Formal Charge:0
Complexity:500
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Cation Count:2
Feature 3D Ring Count:5
Effective Rotor Count:0
Conformer Sampling RMSD:0.6
CID Conformer Count:1

Safety and Handling

【Safety】

RTECS: VA8533500

【Transport】
VA8533500
【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.

【Octanol/Water Partition Coefficient】
1.9 (estimated)

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

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
U.S. Exports

(1979) ND
(1981) ND
U.S. Imports

(1979) 2.49X10+7 GRAMS (PRINCPL CUSTMS DISTS)
(1981) 6.21X10+6 GRAMS (PRINCPL CUSTMS DISTS)
U.S. Production

1.2 million lbs.
(1979) 7.11X10+8 GRAMS
(1981) 6.25X10+8 GRAMS
Consumption Patterns

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

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
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.

Supplier Location

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