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Oxyvanadium phthalocyanine

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Name

Oxyvanadium phthalocyanine

EINECS 237-700-2
CAS No. 13930-88-6 Density N/A
PSA 101.09000 LogP 1.34560
Solubility Insoluble in water. Melting Point 1890oC +/- 10oC
Formula C32H16N8OV Boiling Point 3,380oC
Molecular Weight 579.474 Flash Point N/A
Transport Information UN 3285 Appearance dark blue to purple fine powder
Safety 36/37 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 13930-88-6 (Oxyvanadium phthalocyanine) Hazard Symbols HarmfulXn
Synonyms

Vanadium, oxo[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-,(SP-5-12)-;Vanadium, oxo[phthalocyaninato(2-)]- (7CI,8CI);NIR 12;Vanadium oxyphthalocyanine;Vanadium phthalocyanine;Vanadyl phthalocyanine;Vanadyl(2+) phthalocyaninate;Vanadyl(IV) phthalocyanine;

Article Data 13

Oxyvanadium phthalocyanine Specification

The CAS register number of Oxyvanadium phthalocyanine is 13930-88-6. It also can be called as Vanadium,oxo[29H,31H-phthalocyaninato(2-)-kN29,kN30,kN31,kN32]-, (SP-5-12)- and the systematic name about this chemical is oxovanadium(2+) phthalocyanine-29,30-diide. The molecular formula about this chemical is C32H16N8OV and the molecular weight is 579.47. It belongs to the following product categories, such as Organometallics; Electronic and so on. This chemical is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable protective clothing and gloves.

Physical properties about Oxyvanadium phthalocyanine are: (1)ACD/LogP: 3.95; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 8; (4)#H bond donors: 2; (5)Polar Surface Area: 108.92Å2; (6)H-Bond Acceptor: 9 ; (7)Exact Mass: 579.088671; (8)MonoIsotopic Mass: 579.088671; (9)Topological Polar Surface Area: 96.4; (10)Heavy Atom Count: 42; (11)Complexity: 711; (12)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)SMILES: [V+2]=O.n1c8nc(nc6nc(nc4[n-]c(nc2[n-]c1c3ccccc23)c5ccccc45)c7ccccc67)c9ccccc89
(2)InChI: InChI=1/C32H16N8.O.V/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/rC32H16N8.OV/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;1-2/h1-16H;/q-2;+2
(3)InChIKey: YRZZLAGRKZIJJI-MLYNDQDZAM
(4)Std. InChI: InChI=1S/C32H16N8.O.V/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
(5)Std. InChIKey: YRZZLAGRKZIJJI-UHFFFAOYSA-N

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