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oxo[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]vanadium (13930-88-6)

Identification
Name:oxo[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]vanadium
Synonyms:Phthalocyanine,vanadium complex (6CI); Vanadium, oxo[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-,(SP-5-12)-; Vanadium, oxo[phthalocyaninato(2-)]- (7CI,8CI);29H,31H-Phthalocyanine, vanadium complex; 29H,31H-Phthalocyanine, vanadiumderiv.; NIR 12; Oxo[phthalocyaninato(2-)]vanadium; Oxovanadium phthalocyanine;Vanadium oxyphthalocyanine; Vanadium phthalocyanine; Vanadyl phthalocyanine;Vanadyl(2+) phthalocyaninate; Vanadyl(IV) phthalocyanine
CAS:13930-88-6
EINECS: 237-700-2
Molecular Formula: C32H16N8OV
Molecular Weight: 579.47
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
Molecular Structure: (C32H16N8OV) Phthalocyanine,vanadium complex (6CI); Vanadium, oxo[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-,...
Properties
Transport:UN3285
Melting Point: 1,890ºC +/- 10 ºC
Flash Point: °C
Boiling Point: 3,380ºC
Density:g/cm3
Stability:Stable under normal temperatures and pressures.
Appearance:dark blue to purple fine powder
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

Packinggroup: III
Flash Point: °C
Storage Temperature: Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Data
Hazard Symbols Xn:Harmful
 

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