Phthalocyanine supplier | CasNO.574-93-6

Name
PHTHALOCYANINE
EINECS 209-378-3
CAS No. 574-93-6
Article Data56
CAS DataBase
Density 1.523 g/cm³
Solubility Insoluble in water.
Melting Point >300 °C (dec.)(lit.)
Formula C₃₂H₁₈N₈
Boiling Point 590.15°C (rough estimate)
Molecular Weight 514.549
Flash Point
Transport Information
Appearance blue to purple powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phthalocyanine(8CI);29H,30H-Tetrabenzo[b,g,l,q]porphine;5,28:14,19-Diimino-7,12:26,21-dinitrilotetrabenzo[c,h,m,r][1,6,11,16]tetraazacycloeicosine;8120S;Blue Pigment B;C.I. 74100;C.I. Pigment Blue 16;CG 1-1;Fastogen Blue8110;Fastogen Blue 8120;Fastogen Blue 8120B;Fastogen Blue 8120BS;FastogenBlue GS;Heliogen Blue 7560;Heliogen Blue 7800;Heliogen Blue D 7490;HeliogenBlue D 7560;Heliogen Blue D 7565;Heliogen Blue G;Heliogen Blue L 7460;Heliogen Blue L 7560;Heliogen Blue LG;Irgalite Blue GLS;Irgazin Blue 3GT;Lionol Blue KW;Liophoton;Liophoton THP;Liophoton TPA 891;MCP 80;MonastralFast Blue G;Monolite Fast Blue GS;NA 570;PB 16;PV-Fast Blue G;Photo FineTPA 891;Pigment Blue 16;Pigment Blue Green Phthalocyanine U;Polymon Blue G;Progen I;TPA 891;Tetrabenzo[b,g,l,q]porphine;Tetrabenzo[b,g,l,q]porphyrazine;Tetrabenzoporphyrazine;Tetrabenzotetraazaporphine;Vulcafor Fast Blue G;Vulcanosine Fast Bremen BlueG;Vynamon Blue G;c-Phthalocyanine;
PSA 105.74000
LogP 1.89280

Synthetic route

: 91-15-6
phthalonitrile

: 574-93-6
29H,31H-Phthalocyanine

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]-undecen-7-ene In ethylene glycol at 35 - 40℃; for 3h; Product distribution; Further Variations:; Temperatures; Solvents; Reagents; UV-irradiation;	100%
With sodium methylate; blue zeolite In methanol at 40℃; for 72h;	76%
With ammonium sulfate; 1,1,1,3,3,3-hexamethyl-disilazane In N,N-dimethyl-formamide at 150℃; for 24h;	72%

: 136918-14-4
phthalimide

: ammonium molybdate

: 127450-94-6
1-chloro-3-isopropyl-2-methyl-benzene

: 574-93-6
29H,31H-Phthalocyanine

Conditions

Conditions	Yield
With urea; copper(I) chloride	97%

...Expand

: 14320-04-8
zinc phthalocyanine

: 574-93-6
29H,31H-Phthalocyanine

Conditions

Conditions	Yield
With pyridine hydrochloride In pyridine at 120℃; for 17h; Inert atmosphere;	91%

: 3-Imino-5,6-bis-octyloxy-3H-isoindol-1-ylamine

subphthalocyanine: subphthalocyanine

A: 574-93-6
29H,31H-Phthalocyanine

B: 2,3-bis(octyloxy)phthalocyanine

Conditions

Conditions	Yield
In 1,2-dimethoxyethane at 80℃; for 12h;	A n/a B 90%

...Expand

: 136918-14-4
phthalimide

: ammonium molybdate

: 574-93-6
29H,31H-Phthalocyanine

Conditions

Conditions	Yield
With urea; copper(I) chloride	90%

: 75-31-0
isopropylamine

: 91-15-6
phthalonitrile

A: 104830-26-4
1-isopropylamino-3-(isopropylimino)isoindole

B: NdI3(iPrNH2)4

C: 574-93-6
29H,31H-Phthalocyanine

Conditions

Conditions	Yield
With NdI3(THF)3 Inert atmosphere;	A 85% B n/a C n/a

...Expand

: 75-31-0
isopropylamine

: 91-15-6
phthalonitrile

A: 104830-26-4
1-isopropylamino-3-(isopropylimino)isoindole

B: GdI3(iPrNH2)4

C: 574-93-6
29H,31H-Phthalocyanine

Conditions

Conditions	Yield
With GdI3(THF)3 at 20℃; for 8h; Inert atmosphere;	A 78% B n/a C n/a

...Expand

: 75-31-0
isopropylamine

: 91-15-6
phthalonitrile

A: 104830-26-4
1-isopropylamino-3-(isopropylimino)isoindole

B: DyI3(i-PrNH2)4

C: 574-93-6
29H,31H-Phthalocyanine

Conditions

Conditions	Yield
With dysprosium(III) iodide at 20℃; for 8h; Inert atmosphere;	A 73% B n/a C n/a

...Expand

: 10026-04-7, 53609-55-5
tetrachlorosilane

: 574-93-6
29H,31H-Phthalocyanine

Conditions

Conditions	Yield
In quinoline; N,N-dimethyl-formamide	73%
In quinoline; N,N-dimethyl-formamide	70%

: 103088-30-8
lithium phthalocyanine radical

: 574-93-6
29H,31H-Phthalocyanine

Conditions

Conditions	Yield
With hydroquinone at 150℃; under 0.01 Torr; for 2h; Product distribution; also in water at 20 deg C; other reagents, solvent;	70%

: 14320-04-8
zinc(II) phthalocyanine

: 574-93-6
29H,31H-Phthalocyanine

Conditions

Conditions	Yield
With pyridine; pyridine hydrochloride for 17h; Inert atmosphere;	65.7%

: 116453-83-9
3,6-didecyloxyphthalonitrile

: 91-15-6
phthalonitrile

A: 574-93-6
29H,31H-Phthalocyanine

B: 1,4,1'',4''-tetrakis(decyloxy)phthalocyanine

Conditions

Conditions	Yield
Stage #1: 3,6-didecyloxyphthalonitrile With lithium n-pentyloxide In pentan-1-ol for 2h; Heating; Stage #2: phthalonitrile With lithium n-pentyloxide In pentan-1-ol for 4h; Heating;	A 62% B 7%

...Expand

: boron subphthalocyanine chloride

: 173095-71-1, 206673-25-8, 206673-32-7, 206673-33-8, 206673-40-7, 206673-41-8
5-amino-1,3-diiminoisoindoline

A: 574-93-6
29H,31H-Phthalocyanine

B: monoaminophthalocyanine

Conditions

Conditions	Yield
In various solvent(s) Heating;	A n/a B 60%

...Expand

: 136918-14-4
phthalimide

: 574-93-6
29H,31H-Phthalocyanine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid; 1,1,1,3,3,3-hexamethyl-disilazane In N,N-dimethyl-formamide at 150℃; for 10h;	58%
Stage #1: phthalimide With N,N-dimethyl-formamide; 1,1,1,3,3,3-hexamethyl-disilazane; magnesium bromide; toluene-4-sulfonic acid at 150℃; for 4h; Stage #2: With sulfuric acid	34%

: 5-tert-butyl-1,3-diiminoisoindoline

subphthalocyanine: subphthalocyanine

A: 574-93-6
29H,31H-Phthalocyanine

B: 2-tert-butylphthalocyanine

Conditions

Conditions	Yield
In 1,2-dimethoxyethane at 80℃; for 12h;	A n/a B 57%

...Expand

: 74-89-5
methylamine

: 91-15-6
phthalonitrile

A: NdI3(MeNH2)(1,3-bis(methylimino)isoindoline)

B: 574-93-6
29H,31H-Phthalocyanine

C: 1,3-bis(methylimino)isoindoline

Conditions

Conditions	Yield
With neodymium(III) iodide at 10℃; for 6h; Inert atmosphere;	A 0.48 g B n/a C 52%

...Expand

: 85-44-9
phthalic anhydride

: 574-93-6
29H,31H-Phthalocyanine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid; 1,1,1,3,3,3-hexamethyl-disilazane In N,N-dimethyl-formamide at 150℃; for 10h;	42%
With ammonium molybdate; urea at 190 - 200℃; for 4h;

: 107-10-8
propylamine

: 91-15-6
phthalonitrile

A: NdI3(nPrNH2)5

B: 574-93-6
29H,31H-Phthalocyanine

C: 93423-55-3
1,3-bis-n-propyliminoisoindoline

Conditions

Conditions	Yield
With neodymium(III) iodide at 20℃; for 8h; Inert atmosphere;	A 1.077 g B n/a C 27%

...Expand

: C25H22N4O3S

: 6674-22-2
1,8-diazabicyclo[5.4.0]undec-7-ene

: 574-93-6
29H,31H-Phthalocyanine

Conditions

Conditions	Yield
In pentan-1-ol Heating; Inert atmosphere;	20%

: 91-15-6
phthalonitrile

: 2,3-bis-hexylthio-maleonitrile

A: 574-93-6
29H,31H-Phthalocyanine

B: 22,23-di(hexylthio)-27H,29H-tribenzo[b,g,l]porphyrazine

Conditions

Conditions	Yield
With iodine; magnesium In butan-1-ol for 12h; Heating;	A n/a B 17%

...Expand

: 110682-73-0
1,2-dicyanobenzo-4,5-(15-crown-5)

: 91-15-6
phthalonitrile

A: C40H32N8O5

B: 574-93-6
29H,31H-Phthalocyanine

Conditions

Conditions	Yield
With lithium In pentan-1-ol for 2h; Heating;	A 16% B n/a

...Expand

: 504-29-0
2-aminopyridine

: 91-15-6
phthalonitrile

A: 14526-01-3
1,3-bis-(2-pyridylimino)isoindoline

B: 574-93-6
29H,31H-Phthalocyanine

Conditions

Conditions	Yield
With neodymium(III) iodide In benzene at 80℃; for 20h; Inert atmosphere;	A 16% B n/a

...Expand

: 91-15-6
phthalonitrile

: (Z)-1,2-bis(2-hydroxyethylthio)ethene-1,2-dicarbonitrile

A: 574-93-6
29H,31H-Phthalocyanine

B: 675832-95-8
22,23-di(2-hydroxyethylthio)-μ-27H,29H-tribenzo[b,g,l]porphyrazine

Conditions

Conditions	Yield
Stage #1: phthalonitrile; (Z)-1,2-bis(2-hydroxyethylthio)ethene-1,2-dicarbonitrile With iodine; magnesium In butan-1-ol for 12h; Heating; Stage #2: With trifluoroacetic acid at 20℃; for 3h;	A n/a B 12%

...Expand

: 183059-89-4
3-Imino-6-p-tolylsulfanyl-3H-isoindol-1-ylamine

subphthalocyanine: subphthalocyanine

A: 574-93-6
29H,31H-Phthalocyanine

B: 2-(tolylthio)phthalocyanine

Conditions

Conditions	Yield
In 1,2-dimethoxyethane at 80℃; for 12h;	A n/a B 11%

...Expand

: 183059-90-7
3-Imino-6-(toluene-4-sulfinyl)-3H-isoindol-1-ylamine

subphthalocyanine: subphthalocyanine

A: 574-93-6
29H,31H-Phthalocyanine

B: 2-(tolylsulfinyl)phthalocyanine

Conditions

Conditions	Yield
In 1,2-dimethoxyethane at 80℃; for 12h;	A n/a B 10%

...Expand

: C24H12BN6(1+)*Cl(1-)

: 4,5-di-[5-(4-phenoxy)-10,15,20-triphenyl porphyrin]-1,2-dicarbonitrile zinc (II)

A: 2,3-di-[5-(4-phenoxy)-10,15,20-triphenyl porphyrin zinc(II) ]phthalocyanine

B: 574-93-6
29H,31H-Phthalocyanine

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dimethyl sulfoxide at 120℃; for 24h;	A 6% B n/a

...Expand

: 160956-25-2, 160956-26-3, 160956-27-4, 160956-28-5, 160956-29-6
isoindole-1,3-diylidenediamine

: 130326-42-0
C61H65N11O5

A: 574-93-6
29H,31H-Phthalocyanine

B: 130326-44-2
1-(2'-(9',16',23'-tris(1,1-dimethylethyl)phthalocyaninoxy))-2-ethyl-2-methyl-3-(2-phthalocyaninoxy)propane

Conditions

Conditions	Yield
In various solvent(s) at 160℃; for 60h;	A n/a B 2%
In various solvent(s) at 160℃; for 60h; Yields of byproduct given;

...Expand

: 6147-53-1
cobalt(II) diacetate tetrahydrate

: 574-93-6
29H,31H-Phthalocyanine

: 3317-67-7
cobalt(II) phthalocyanine

Conditions

Conditions	Yield
With butyl(2-hydroxyethyl)dimethylammonium acetate at 100℃; Ionic liquid; Inert atmosphere;	99%
With tributyl-amine In pentan-1-ol at 160℃; for 2h; Inert atmosphere;	20 mg

: 6018-89-9
nickel(II) acetate tetrahydrate

: 574-93-6
29H,31H-Phthalocyanine

: 14055-02-8
nickel(II) phthalocyanine

Conditions

Conditions	Yield
With butyl(2-hydroxyethyl)dimethylammonium acetate at 100℃; Ionic liquid; Inert atmosphere;	98%

: 301-04-2
lead acetate

: 574-93-6
29H,31H-Phthalocyanine

: 15187-16-3
lead(II) phthalocyanine

Conditions

Conditions	Yield
With butyl(2-hydroxyethyl)dimethylammonium acetate at 100℃; Ionic liquid; Inert atmosphere;	94%

: 5970-45-6
zinc(II) acetate dihydrate

: 574-93-6
29H,31H-Phthalocyanine

: 14320-04-8
zinc(II) phthalocyanine

Conditions

Conditions	Yield
With butyl(2-hydroxyethyl)dimethylammonium acetate at 100℃; Ionic liquid; Inert atmosphere;	92%
With tributyl-amine In pentan-1-ol at 160℃; for 2h; Inert atmosphere;	26 mg

: 157131-39-0
1,3,5-tris{2-(pyridin-4-yl)-vinyl}benzene

: 1039768-31-4
[Ru2(η6-p-cymene)2(C6H2O4)Cl2]

: 2923-28-6
silver trifluoromethanesulfonate

: 574-93-6
29H,31H-Phthalocyanine

: [phthalocyanine*Ru6(p-cymene)6(1,3,5-tris{2-(pyridin-4-yl)-vinyl}benzene)2(μ-2,5-dioxido-1,4-benzoquinonato)3][trifluoromethanesulfonate]6

Conditions

Conditions	Yield
In methanol for 24h; Reflux;	91%

...Expand

: iron(III) chloride

: 574-93-6
29H,31H-Phthalocyanine

: phthalocyaninatoiron(III) chloride

Conditions

Conditions	Yield
With butyl(2-hydroxyethyl)dimethylammonium acetate at 100℃; Ionic liquid; Inert atmosphere;	90%

: lanthanum(III) acetylacetonate hydrate

: C98H78N8O2

: 574-93-6
29H,31H-Phthalocyanine

: C130H90La2N16O2

Conditions

Conditions	Yield
Stage #1: lanthanum(III) acetylacetonate hydrate; C98H78N8O2 In octanol for 16h; Reflux; Inert atmosphere; Stage #2: 29H,31H-Phthalocyanine In octanol for 18h; Reflux; Inert atmosphere;	86%

...Expand

: 574-93-6
29H,31H-Phthalocyanine

: 15213-92-0, 25147-08-4, 25510-41-2, 127192-65-8
dilithium phthalocyanine

: 103088-30-8
lithium phthalocyanine radical

Conditions

Conditions	Yield
With iodine In water; acetone at 20℃; for 12h;	78%

: 1,2,4,5-tetrakis{2-(pyridin-4-yl)vinyl}benzene

: (η6-p-cymRu)2(μ4-5,8-dihydroxy-1,4-naphthoquinone)Cl2

: 2923-28-6
silver trifluoromethanesulfonate

: 574-93-6
29H,31H-Phthalocyanine

: [phthalocyanine*Ru8(p-cymene)8(1,2,4,5-tetrakis{2-(pyridin-4-yl)vinyl}benzene)2(μ-5,8-dioxido-1,4-naphthoquinonato)4][trifluoromethanesulfonate]8

Conditions

Conditions	Yield
In methanol for 24h; Reflux;	76%

...Expand

: dysprosium(III) chloride

: 574-93-6
29H,31H-Phthalocyanine

: 67-68-5
dimethyl sulfoxide

: C68H44Cl2Dy2N16O2S2

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran at 189℃; for 0.166667h; Inert atmosphere;	68.2%

...Expand

: 574-93-6
29H,31H-Phthalocyanine

: POTBC

Conditions

Conditions	Yield
With pyridine; phosphorus tribromide at 100℃; for 6h;	67%

: 74507-62-3
bis(pentamethylcyclopentadienyl)cobalt(II)

: 110-54-3
hexane

: 574-93-6
29H,31H-Phthalocyanine

: 100-47-0
benzonitrile

: 95-50-1
1,2-dichloro-benzene

: (Cp*2Co+)(H2Pc•-)·0.5C6H4Cl2·0.7C6H5CN·0.3C6H14

Conditions

Conditions	Yield
Stage #1: bis(pentamethylcyclopentadienyl)cobalt(II); 29H,31H-Phthalocyanine; 1,2-dichloro-benzene at 100℃; for 4h; Stage #2: benzonitrile at 100℃; for 2h; Stage #3: hexane for 1461h;	64%

...Expand

: 109-99-9
tetrahydrofuran

: 109-72-8, 29786-93-4
n-butyllithium

: 574-93-6
29H,31H-Phthalocyanine

: 10026-10-5
uranium(IV) chloride

: C48H48Cl3LiN8O4U

Conditions

Conditions	Yield
In Triethylene glycol dimethyl ether at 189℃; for 0.0833333h; Inert atmosphere;	59%

...Expand

Phthalocyanine Specification

With the CAS registry number 574-93-6, Phthalocyanine is also named as 29H,31H-Phthalocyanine. The product's categories are organics, phthalocyanines, porphyrins, functional materials, phthalonitriles & naphthalonitriles and so on, and the other registry numbers are 162831-66-5, 2612-54-6, 4466-64-2, 52440-51-4, 81612-16-0 and 889688-86-2. In addition, it is blue to purple powder. Its molecular formula is C₃₂H₁₈N₈ and molecular weight is 514.54. Furthermore, when you are using this chemical, please avoid contact with skin and eyes and do not breathe dust.

The other characteristics of this product can be summarized as: (1)EINECS: 209-378-3; (2)Melting point: >300; (3)ACD/LogP: 9.62; (4)# of Rule of 5 Violations: 2; (5)H bond acceptors: 8; (6)H bond donors: 2; (7)XLogP3-AA: 6.4; (8)H-Bond Donor: 2; (9)H-Bond Acceptor: 6; (10)Rotatable Bond Count: 0; (11)Tautomer Count: 4; (12)Exact Mass: 514.165443; (13)MonoIsotopic Mass: 514.165443; (14)Topological Polar Surface Area: 109; (15)Heavy Atom Count: 40; (16)Complexity: 847; (17)Freely Rotating Bonds: 0 ; (18)Index of Refraction: 1.932; (19)Molar Refractivity: 161.039 cm³; (20)Molar Volume: 337.952 cm³; (21)Polarizability: 63.841×10^-24cm³; (22)Surface Tension: 96.856 dyne/cm; (23)Density: 1.523 g/cm³; (24)Melting point: >300 °C.

Preparation of Phthalocyanine: this chemical forms upon heating phthalic acid derivatives that contain nitrogen functional groups. Classical precursors are phthalonitrile and diiminoisoindole. In the presence of urea, the heating of phthalanhydride is a useful route to H2Pc. These reactions are more efficient in the presence of metal salts.

Uses of Phthalocyanine: it is an intensely coloured macrocyclic compound that is widely used in dyeing. And it strongly absorb light in the red portion of the optical spectrum (about 600 to 700 nm), thus these dyes are characteristically blue or greenish. Phthalocyanine is also commonly used as a dye in the manufacture of high-speed CD-R media. Moreover, Metal phthalocyanines have long been examined as catalysts for redox reactions. Areas of interest are the oxygen reduction reaction and the sweetening of gas streams by removal of hydrogen sulfide.

People can use the following data to convert to the molecule structure.
SMILES:c1ccc2c(c1)c\3[nH]c2/nc/4\nc(/nc/5\nc(/nc\6/c7ccccc7/c(/[nH]6)n3)-c8c5cccc8)-c9c4cccc9
InChI:InChI=1/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H,(H2,33,34,35,36,37,38,39,40)
InChIKey:IEQIEDJGQAUEQZ-UHFFFAOYAC

Product Name

PHTHALOCYANINE

Synthetic route

Phthalocyanine Specification

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