CAS No.574-93-6,PHTHALOCYANINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	574-93-6
Name:	PHTHALOCYANINE
Article Data:	56

Formula:	C₃₂H₁₈N₈
Molecular Weight:	514.549
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;
EINECS:	209-378-3
Density:	1.523 g/cm³
Melting Point:	>300 °C (dec.)(lit.)
Boiling Point:	590.15°C (rough estimate)
Solubility:	Insoluble in water.
Appearance:	blue to purple powder
Safety:	22-24/25
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%

Raw Materials

31643-49-9

56984-07-7

504-29-0

85-44-9

64-17-5

Downstream Products

147-14-8

Total:88 Page 1 of 3 1 2 3 Next>>

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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