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cobalt(II) diacetate tetrahydrate
29H,31H-Phthalocyanine
cobalt(II) phthalocyanine
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 |
Conditions | Yield |
---|---|
With ammonium molybdate at 110℃; for 0.166667h; Microwave irradiation; | 92% |
Conditions | Yield |
---|---|
With ammonium molybdate at 120℃; for 0.166667h; Microwave irradiation; | 92% |
The Cobalt,[29H,31H-phthalocyaninato(2-)-kN29,kN30,kN31,kN32]-, (SP-4-1)- with the CAS registry number of 3317-67-7 is also called [29H,31H-phthalocyaninato-N29,N30,N31,N32]cobalt. It belongs to the classes of Organometallics; Classes of Metal Compounds; Cobalt Compounds; Functional Materials; Phthalocyanines; Phthalonitriles & Naphthalonitriles; Transition Metal Compounds. The other registry number is CB6261489. Its IUPAC name is Phthalocyanine cobalt(II) salt. In addition, the molecular formula is C32H16CoN8 and molecular weight is 571.46.
Physical properties about Cobalt,[29H,31H-phthalocyaninato(2-)-kN29,kN30,kN31,kN32]-, (SP-4-1)- are: (1) ACD/LogP: 4.21; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 4.19; (4) ACD/LogD (pH 7.4): 4.2; (5) #H bond acceptors: 8; (6) #H bond donors: 1; (7) Polar Surface Area: 98.55 Å2; (8) Index of Refraction: 1.891; (9) Molar Refractivity: 151.51 cm3; (10) Molar Volume: 327.9 cm3; (11) Polarizability: 60.06×10-24 cm3; (12) Surface Tension: 71.8 dyne/cm; (13) Density: 1.56 g/cm3;
You can still convert the following datas into molecular structure:
(1)SMILES:N1=C8N=C(N=C6NC(=NC5=NC(=NC3N=C1c2ccccc23)c4ccccc45)c7ccccc67)c9ccccc89
(2)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/h1-16,25H,(H,33,34,35,36,37,38,39,40)
(3)InChIKey:FBRLOHUYELSNCW-UHFFFAOYAA
(4)Std. InChI:InChI=1S/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/h1-16,25H,(H,33,34,35,36,37,38,39,40)
(5)Std. InChIKey:FBRLOHUYELSNCW-UHFFFAOYSA-N