Iron phthalocyanine supplier

Name
Iron phthalocyanine
EINECS 205-047-2
CAS No. 132-16-1
Article Data35
CAS DataBase
Density 0.326[at 20℃]
Solubility It is insoluble in water. It is soluble in conc. sulfuric acid.
Melting Point >300 °C
Formula C₃₂H₁₆FeN₈
Boiling Point
Molecular Weight 568.38
Flash Point
Transport Information
Appearance Dark purple, green or black powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms P 26;Phthalocyanine iron;Phthalocyanine-iron(II);Sanyo P 26;[Phthalocyanato(2-)]iron;[Phthalocyaninato(2-)]iron;Iron,[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-4-1)-;Iron,[phthalocyaninato(2-)]- (8CI);(Phthalocyaninato)iron;(Phthalocyaninato)iron(II);Ferrophthalocyanine;Ferrophthalocyanine complex;Ferrous phthalocyanine;Iron(II) phthalocyanine;Iron(2+) phthalocyaninate;Iron(2+) phthalocyanine;
PSA 84.02000
LogP 1.46190

Synthetic route

: iron(II) chloride tetrahydrate

: 57-13-6
urea

: 91-15-6
phthalonitrile

: 132-16-1
iron(II) phthalocyanine

Conditions

Conditions	Yield
With ammonium molybdate at 110℃; for 0.166667h; Microwave irradiation;	90%

...Expand

: 85-44-9
phthalic anhydride

: iron(II) chloride tetrahydrate

: 57-13-6
urea

: 132-16-1
iron(II) phthalocyanine

Conditions

Conditions	Yield
With ammonium molybdate at 130℃; for 0.0833333h; Microwave irradiation;	89%

...Expand

: 136918-14-4
phthalimide

: iron(II) chloride tetrahydrate

: 57-13-6
urea

: 132-16-1
iron(II) phthalocyanine

Conditions

Conditions	Yield
With ammonium molybdate at 120℃; for 0.166667h; Microwave irradiation;	88%

...Expand

: 91-15-6
phthalonitrile

: iron(II) chloride

: 132-16-1
iron(II) phthalocyanine

Conditions

Conditions	Yield
With 1,8-diazabicyclo{5.4.0}undec-7-ene In cellosolve=2-ethoxyethanol a mixt. of the Cu salt, phthalonitrile, and the base (molar ratio 3:10:10) was refluxed in ethyl-cellosolve for 6 h;; the ppt. was filtered off, washed with 3% HCl soln., water, and ethanol and purified by extrn. with CHCl3; IR, UV, XRD, and elem.anal.;;	57%
In neat (no solvent) for 0.1h; Microwave irradiation;

: 91-15-6
phthalonitrile

iron(II) salt: iron(II) salt

: 132-16-1
iron(II) phthalocyanine

Conditions

Conditions	Yield
With 1,3-dimethyl-1H-imidazol-3-ium hydrogen carbonate; water In ethanol at 160℃; for 8h; chemoselective reaction;	54%

: 85-44-9
phthalic anhydride

: 7439-89-6
iron(II)

: 57-13-6
urea

: 132-16-1
iron(II) phthalocyanine

Conditions

Conditions	Yield
With (NH4)2Mo2O7 In neat (no solvent) other Radiation; mixt. of O-phthalic anhydride, urea, metal salt and (NH4)2Mo2O7 irradiated in microwave oven at 460W for 8 min. the at 800W for 8 min, cooling to room temp.; washed (H2O, acetone, MeOH, 6M HCl), reflux with acetone, MeOH and CHCl3resp. about 12 h; elem. anal.;	49%

...Expand

: dilitium phthalocyanine

: iron(II) chloride

: 132-16-1
iron(II) phthalocyanine

Conditions

Conditions	Yield
In ethanol abs. ethanol; vac. sublimation;

: 16702-08-2
bis(4-methylpyridine)phthalocyaninatoiron(II)

: 132-16-1
iron(II) phthalocyanine

Conditions

Conditions	Yield
In neat (no solvent) 180-220°C;

: 113779-65-0
bis(2-isopropylphenylisocyanide)(phthalocyaninato)iron(II)

: 132-16-1
iron(II) phthalocyanine

B: 90901-53-4
1-isocyano-2-isopropylbenzene

Conditions

Conditions	Yield
N2 atmosphere, 220-300°C; TG/DTG/DTA monitoring;

: 113779-63-8
bis(3-methylphenylisocyanide)(phthalocyaninato)iron(II)

: 132-16-1
iron(II) phthalocyanine

B: 20600-54-8
1-isocyano-3-methylbenzene

Conditions

Conditions	Yield
N2 atmosphere, 195-275°C; TG/DTG/DTA monitoring;

: 113779-62-7
bis(2-methylphenylisocyanide)(phthalocyaninato)iron(II)

: 132-16-1
iron(II) phthalocyanine

B: 10468-64-1
o-tolyl isocyanide

Conditions

Conditions	Yield
N2 atmosphere, 210-285°C; TG/DTG/DTA monitoring;

: 113779-64-9
bis(4-methylphenylisocyanide)(phthalocyaninato)iron(II)

: 132-16-1
iron(II) phthalocyanine

B: 7175-47-5
4-methylphenyl isocyanide

Conditions

Conditions	Yield
N2 atmosphere, 200-290°C; TG/DTG/DTA monitoring;

: 80376-36-9
Fe(2+)*C32H16N8(2-)*C5H4NC5H4N=Fe(C32H16N8)(C5H4NC5H4N)

: 132-16-1
iron(II) phthalocyanine

Conditions

Conditions	Yield
byproducts: 4,4'-bipyridine; heating in N2;

: Li(1+)*{CH3FeC32H16N8}(1-)*6C4H8O=Li{CH3FeC32H16N8}*6C4H8O

: 132-16-1
iron(II) phthalocyanine

B: lithium iodide

C: 74-88-4
methyl iodide

Conditions

Conditions	Yield
With I2 In tetrahydrofuran

...Expand

: Na(1+)*{C6H5SCH2FeC32H16N8}(1-)*4C4H8O=Na{C6H5SCH2FeC32H16N8}*4C4H8O

: 132-16-1
iron(II) phthalocyanine

Conditions

Conditions	Yield
With oxalic acid In pyridine byproducts: thioanisol;

: 83854-39-1
{C32H16N8FeC6H4(NC)2}(n)

: 132-16-1
iron(II) phthalocyanine

Conditions

Conditions	Yield
byproducts: 1,4-dicyanobenzene; heating under N2-atm.;

: dilithium {trans-bis(phenylethinyl)phthalocyaninato}iron(II)*7THF

: 132-16-1
iron(II) phthalocyanine

B: 536-74-3
phenylacetylene

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran Ar; hydrolysis; 6 h; room temperature;;

: 74353-48-3
μ-oxo-bisphthalocyaninato(2-)ferrate(III)

: 132-16-1
iron(II) phthalocyanine

Conditions

Conditions	Yield
With N2 or Ar In dimethyl sulfoxide Kinetics; inert gas bubbled through soln.; followed spectrophotometrically;

: 86493-47-2
μ-(1,4-diazabicyclo{2.2.2}octane)-(phthalocyaninato)iron(II)

: 132-16-1
iron(II) phthalocyanine

Conditions

Conditions	Yield
byproducts: 1,4-diazabicyclo{2.2.2}octane; heating under N2-atm.;

: 74591-76-7
(phthalocyaninato)-μ-(pyrazine)-iron(II)

: 132-16-1
iron(II) phthalocyanine

Conditions

Conditions	Yield
byproducts: pyrazine; heating under N2-atm.;

: Na(1+)*[Fe(C8H4N2)4CH2CH2N(C6H5)2](1-)*4C4H8O = Na[Fe(C8H4N2)4CH2CH2N(C6H5)2]*4C4H8O

: 132-16-1
iron(II) phthalocyanine

Conditions

Conditions	Yield
With CH3OH In methanol byproducts: CH2CH2, Ph2NH, CH3ONa; (Ar), to Fe-complex methanol added with stirring within 3-10 min; methanolic KOH added, chromd., filtered, washed with water, methanol and ether, IR;
With acetyl chloride In tetrahydrofuran byproducts: CH2CH2, MeC(O)NPh2, NaCl; (Ar), Fe-complex dissolved in THF, acetyl chloride added, methanol/pyridine added at -10°C; chromd. (Chromaton-N-Super), filtered;

: 132-16-1
iron(II) phthalocyanine

: Fe((C6H4C2N2)4)(CO)(CH3OH)*0.7CH2Cl2

Conditions

Conditions	Yield
With CH2Cl2; CH3OH; CO In neat (no solvent) (inert gas); complex/CH2Cl2 treated with MeOH, stirred for 7 h under CO; filtered (vac.); elem. anal.;	95%

: 680-31-9
N,N,N,N,N,N-hexamethylphosphoric triamide

: 132-16-1
iron(II) phthalocyanine

: 80737-35-5
Fe(C32H16N8)(CO)(OP(N(CH3)2)3)*OP(N(CH3)2)3*0.5CCl4

Conditions

Conditions	Yield
With CO In tetrachloromethane stirred in atm. of CO at room temp. for 4 h; filtration, drying in vac. for 20 min; elem. anal.;	94%

: 132-16-1
iron(II) phthalocyanine

: 74325-92-1
[Fe(CH3OH)(CO)(C6H4C2N2)4]

Conditions

Conditions	Yield
With CH3OH; CO In neat (no solvent) (Ar; CO reacted with complex suspn. for 7 h with stirring; filtered, dried (vac.); elem. anal.;	91%

: 132-16-1
iron(II) phthalocyanine

: Fe((C6H4C2N2)4)(CO)(NH3)*0.35CCl4

Conditions

Conditions	Yield
With CCl4; NH3; CO In neat (no solvent) (inert gas); complex suspn. in CCl4 treated with dry NH3, stirred for 15 h under CO; filtered, dried (vac.); elem. anal.;	91%

: 132-16-1
iron(II) phthalocyanine

: 18166-02-4
N-trimethylsilylmethylamine

: 1241965-92-3
[Fe(phthalocyanine)(trimethylsilylamine)2]

Conditions

Conditions	Yield
In tetrahydrofuran under N2; dropwise addn. of amine to soln. of iron complex in THF, stirring at room temp. for 15 min; filtration with Millipore Millex, filtrate slowly concd. under vac., oilwashed with cold hexane, filtration, drying under vac.; elem. anal.;	90%
In tetrahydrofuran-d8 under N2; iron complex and amine mixed in THF-d8 in NMR tube for a few min;

: 108-99-6
3-Methylpyridine

: 132-16-1
iron(II) phthalocyanine

: 16702-07-1
(phthalocyaninato)(3-picoline)2iron(II)

Conditions

Conditions	Yield
In neat (no solvent) under N2; refluxed for 5 h; concd.; cooled to 0°C; filtered; washed (MeOH); dried (70°C); elem. anal.; UV; IR;	87%

: 132-16-1
iron(II) phthalocyanine

: 2393-23-9
4-methoxy-benzylamine

: 1241965-91-2
[Fe(phthalocyanine)(p-mrthoxybenzylamine)2]

Conditions

Conditions	Yield
In tetrahydrofuran under N2; dropwise addn. of amine to soln. of iron complex in THF, stirring at room temp. for 15 min; filtration with Millipore Millex, filtrate slowly concd. under vac., oilwashed with cold hexane, filtration, drying under vac.; elem. anal.;	86%
In tetrahydrofuran-d8 under N2; iron complex and amine mixed in THF-d8 in NMR tube for a few min;

: 132-16-1
iron(II) phthalocyanine

: 61395-36-6
Fe(C32H16N8)(CO)(C5H5N)*2CCl4

Conditions

Conditions	Yield
With CO; pyridine In tetrachloromethane a suspn. of complex was stirred in atm. of CO with pyridine for 20 h; filtration, drying in vac. for 10 min; elem. anal.;	85%

: 108-89-4
picoline

: 132-16-1
iron(II) phthalocyanine

: 16702-08-2
bis(4-methylpyridine)phthalocyaninatoiron(II)

Conditions

Conditions	Yield
In neat (no solvent) under N2; refluxed for 5 h; concd.; cooled to 0°C; filtered; washed (MeOH); dried (70°C); elem. anal.; UV; IR;	83%
In chloroform Fe complex dissolved in CHCl3 soln. contained ligand; soln. stirred for 10 h at room temp.; ppt. collected by filtration, washed with hexane and dried in vac.;	44%

: 132-16-1
iron(II) phthalocyanine

: Fe((C6H4C2N2)4)(CO)(H2O)*0.3(CH3)2CO

Conditions

Conditions	Yield
With H2O; (CH3)2CO; CO In neat (no solvent) (inert gas); complex suspended in H2O/acetone, treated with CO at room temp. for 4 h; sucked, evapd. (vac.); elem. anal.;	82%

: 132-16-1
iron(II) phthalocyanine

: 109-89-7
diethylamine

: 170128-38-8
(C8H4N2)4Fe[(C2H5)2NH]2

Conditions

Conditions	Yield
In benzene dry amine addn. to bezene suspension of Fe(II)-phthalocyanine, Ar atmosphere, refluxing (24 h); unreacted phthalocyanine filtered away, filtrate evapn., dry hexane addn., ppt. filtering off, vacuum drying (room temp.);	80%

: 132-16-1
iron(II) phthalocyanine

: 67-68-5
dimethyl sulfoxide

: bis(dimethyl sulphoxide)phthalocyaninatoiron(II)-dimethyl sulphoxide (1/2)

Conditions

Conditions	Yield
7 h at 110°C, cooling to room temp., under prepurified Ar or N2; filtered, dried in vac., elem. anal.;	77%

: 132-16-1
iron(II) phthalocyanine

: 109-89-7
diethylamine

: Fe((C6H4C2N2)4)(CO)((C2H5)2NH)*1.1CCl4

Conditions

Conditions	Yield
With CO; CCl4 In neat (no solvent) (inert gas); complex in CCl4 treated with (C2H5)2NH under CO with stirring for 20 h; filtered, dried (vac.); elem. anal.;	76%

: nitronium tetrafluoborate

: 132-16-1
iron(II) phthalocyanine

: (NO2)C32H15N8Fe

Conditions

Conditions	Yield
In sulfolane (N2); equimolar amts; stirring at 20°C for 2 h; pouring into ice-water; centrifugation; washing (water, alcohol); drying in vac.; recrystn. (pyridine);	75%

: 685-91-6
diethylacetamide

: 132-16-1
iron(II) phthalocyanine

: 80720-96-3
Fe(C32H16N8)(CO)((C2H5)2NCOCH3)*CH3CON(C2H5)2

Conditions

Conditions	Yield
With CO a suspn. of complex in diethylacetamide was stirred in atm. of CO for 10 h; filtration, drying in vac.; elem. anal.;	74%

: 616-47-7
1-methyl-1H-imidazole

: 132-16-1
iron(II) phthalocyanine

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

: [FeII(N-methylimidazole)2(phthalocyanine)]0·2(o-dichlorobenzene)

Conditions

Conditions	Yield
With chromium dichloride at 80℃; for 24h;	74%

...Expand

: 132-16-1
iron(II) phthalocyanine

: 2999-48-6
1,4-diisocyano-2,3,5,6-tetramethylbenzene

: 104574-74-5
(phthalocyaninato)bis(2,3,5,6-tetramethyl-1,4-diisocyanobenzene)iron(II)

Conditions

Conditions	Yield
In chloroform exclusion of moisture and O2; 6-20 -fold excess of (CN)2C6(CH3)4, mixt. stirred for 1 h at ambient temp.; filtered, concd., addn. of n-hexane, ppt. centrifugated, dried, excess (CN)2C6(CH3)4 sublimated at 80°C under vacuum, elem.anal.;	73%

: 132-16-1
iron(II) phthalocyanine

: 110-54-3
hexane

: sodium fluorenone

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

: 23978-09-8
[2.2.2]cryptande

: 741268-81-5, 741268-84-8, 133227-82-4, 133320-10-2, 133320-11-3, 133869-47-3, 134054-62-9, 134932-61-9, 149820-05-3, 149820-06-4, 157903-26-9, 175779-21-2, 115383-22-7, 958017-68-0, 958017-71-5, 958017-74-8, 958017-77-1, 958017-80-6, 140630-87-1, 140694-21-9, 151716-50-6, 157008-89-4, 220062-79-3, 220062-83-9
[5,6]fullerene-C70

: (C70-)2·{[iron(I) phthalocyanine]-}6·(cryptand[2,2,2]·[Na+])8·(o-dichlorobenzene)8.65·(C6H14)0.35

Conditions

Conditions	Yield
Stage #1: iron(II) phthalocyanine; sodium fluorenone; 1,2-dichloro-benzene; [2.2.2]cryptande; [5,6]fullerene-C70 at 60℃; for 4h; Stage #2: hexane	72%

...Expand

: 132-16-1
iron(II) phthalocyanine

: Fe((C6H4C2N2)4)(CO)((C2H5)3N)*0.9CCl4

Conditions

Conditions	Yield
With (C2H5)3N; CCl4; CO In neat (no solvent) (inert gas); complex in CCl4 treated with (C2H5)3N under CO with stirring for 20 h; filtered, dried (vac.); elem. anal.;	71%

: 132-16-1
iron(II) phthalocyanine

: Fe(C4H2NC(C6H5))4(1+)*N3(1-)=Fe(C4H2NC(C6H5))4(N3)

: (μ-nitrido){((tetraphenylporphyrinato)iron)(phthalocyaninato)iron}

Conditions

Conditions	Yield
In xylene PcFe is added to a suspn. of TPPFeNFePc in xylene, mixt. is refluxed at 120°C under N2 with const. stirring for 8 h; mixt. is allowed to cool to room temp., xylene is sepd. by centrifugation, solid residue is washed with xylene, dried under vac. at room temp.; elem. anal.;	65%

: 132-16-1
iron(II) phthalocyanine

: 477-75-8
triptycene

: 4519-28-2
tetramethylphosphonium bromide

: 1427043-50-2
(tetramethylphosphonium)∙{[Fe(I)Pc(-2)](1-)}∙triptycene

Conditions

Conditions	Yield
Stage #1: iron(II) phthalocyanine; tetramethylphosphonium bromide With zinc In benzonitrile; 1,2-dichloro-benzene at 170 - 180℃; Stage #2: triptycene In benzonitrile; 1,2-dichloro-benzene	65%

...Expand

: 132-16-1
iron(II) phthalocyanine

: 13456-78-5
N,N,N',N'-tetrabenzyl-p-phenylenediamine

: 4519-28-2
tetramethylphosphonium bromide

: (tetramethylphosphonium)∙{[Fe(I)Pc(-2)](1-)}∙(N,N,N',N'-tetrabenzyl-p-phenylenediamine)0.5

Conditions

Conditions	Yield
Stage #1: iron(II) phthalocyanine; tetramethylphosphonium bromide With zinc In benzonitrile; 1,2-dichloro-benzene at 170 - 180℃; Stage #2: N,N,N'N'-tetrabenzyl-benzene-1,4-diamine In benzonitrile; 1,2-dichloro-benzene	65%

...Expand

: sodium azide

: 132-16-1
iron(II) phthalocyanine

: C72H72FeN8O8S4

: C104H88Fe2N17O8S4

Conditions

Conditions	Yield
at 190℃; for 24h; Inert atmosphere;	64%

...Expand

: 132-16-1
iron(II) phthalocyanine

: 119072-55-8, 7188-38-7
tert-butylisonitrile

: 97148-81-7
bis(tert-butylisocyanide)(phthalocyaninato)iron(II)

Conditions

Conditions	Yield
In toluene at 80℃; for 4h; Inert atmosphere;	63.8%

: 132-16-1
iron(II) phthalocyanine

: 7205-91-6
phenylthiomethyl chloride

: sodium naphthalenide

: Na(1+)*{C6H5SCH2FeC32H16N8}(1-)*4C4H8O=Na{C6H5SCH2FeC32H16N8}*4C4H8O

Conditions

Conditions	Yield
With THF In tetrahydrofuran byproducts: NaCl; under Ar, suspn. of Na2(FePC)*xTHF in THF prepd. by redn. of FePc with 2.2 equivs. of (C10H8)Na, PhSCH2Cl dissolved in THF added at 0°C,stirred at room temp. for 2 h; filtered, treated with ether, crystals filtered, washed with hot ether,recrystd. from THF/ether; elem. anal.;	62%

...Expand

: 132-16-1
iron(II) phthalocyanine

: sodium fluorenone

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

: 23978-09-8
[2.2.2]cryptande

: 1412901-21-3
[iron(I) phthalocyanine]-(cryptand[2,2,2])*(Na+)(o-dichlorobenzene)

Conditions

Conditions	Yield
at 60℃; for 4h;	56%

...Expand

Iron phthalocyanine Specification

The Iron phthalocyanine with CAS registry number of 132-16-1 is also known as Ferrous phthalocyanine. The systematic name is Iron, (29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-. It belongs to product categories of Organometallics; Electronic; Electronic Chemicals; Classes of Metal Compounds; Fe (Iron) Compounds; Functional Materials; Phthalocyanines; Phthalonitriles & Naphthalonitriles; Transition Metal Compounds. Its EINECS registry number is 205-047-2. In addition, the formula is C₃₂H₁₆FeN₈ and the molecular weight is 568.37. This chemical is a dark purple, green or black powder. During using it, do not breathe dust and avoid contact with skin and eyes.

Physical properties about Iron phthalocyanine are: (1)H-Bond Acceptor: 2; (2)Rotatable Bond Count 0; (3)Exact Mass: 568.084735; (4)MonoIsotopic Mass: 568.084735; (5)Topological Polar Surface Area: 79.3; (6)Heavy Atom Count: 41; (7)Complexity: 709; (8)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2[N-]3.[Fe+2]
2. InChI: InChI=1S/C32H16N8.Fe/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;/q-2;+2
3. InChIKey: MIINHRNQLVVCEW-UHFFFAOYSA-N

Product Name

Iron phthalocyanine

Synthetic route

Iron phthalocyanine Specification

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