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Cas Database |
| Name |
Iron phthalocyanine |
EINECS | 205-047-2 |
| CAS No. | 132-16-1 | Density | 0.326[at 20℃] |
| PSA | 84.02000 | LogP | 1.46190 |
| Solubility | It is insoluble in water. It is soluble in conc. sulfuric acid. | Melting Point |
>300 °C |
| Formula | C32H16FeN8 | Boiling Point | N/A |
| Molecular Weight | 568.38 | Flash Point | N/A |
| Transport Information | N/A | Appearance | Dark purple, green or black powder |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 35 |
Iron phthalocyanine Synthetic route
| Conditions | Yield |
|---|---|
| With ammonium molybdate at 110℃; for 0.166667h; Microwave irradiation; | 90% |
| Conditions | Yield |
|---|---|
| With ammonium molybdate at 130℃; for 0.0833333h; Microwave irradiation; | 89% |
| Conditions | Yield |
|---|---|
| With ammonium molybdate at 120℃; for 0.166667h; Microwave irradiation; | 88% |
| 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; |
| Conditions | Yield |
|---|---|
| With 1,3-dimethyl-1H-imidazol-3-ium hydrogen carbonate; water In ethanol at 160℃; for 8h; chemoselective reaction; | 54% |
| 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% |
| Conditions | Yield |
|---|---|
| In ethanol abs. ethanol; vac. sublimation; |
- 16702-08-2
bis(4-methylpyridine)phthalocyaninatoiron(II)
- 132-16-1
iron(II) phthalocyanine
| 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 | 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 | Yield |
|---|---|
| N2 atmosphere, 195-275°C; TG/DTG/DTA monitoring; |
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
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