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Aluminum(1+),[29H,31H-phthalocyaninato(2-)-kN29,kN30,kN31,kN32]-, (SP-4-1)- (9CI) (47822-79-7)

Identification
Name:Aluminum(1+),[29H,31H-phthalocyaninato(2-)-kN29,kN30,kN31,kN32]-, (SP-4-1)- (9CI)
Synonyms:Aluminum(1+),[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-4-1)-;Aluminium phthalocyanine;
CAS:47822-79-7
Molecular Formula: C32H16AlN8
Molecular Weight: 539.504
InChI: InChI=1S/C32H16N8.Al/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;+3
Molecular Structure: (C32H16AlN8) Aluminum(1+),[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-4-1)-;Aluminium phthalocyanine;
Properties
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:g/cm3
Specification:

The Aluminium phthalocyanine with the cas number 47822-79-7 is also called Aluminum(1+),[29H,31H-phthalocyaninato(2-)-kN29,kN30,kN31,kN32]-, (SP-4-1)- (9CI). Its molecular formula is C32H16AlN8. This chemical is a kind of organics. It should be stored in dry and cool environment.

Properties Computed from Structure: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 8; (3)Rotatable Bond Count: 0; (4)Exact Mass: 539.131331; (5)MonoIsotopic Mass: 539.131331; (6)Topological Polar Surface Area: 79.3; (7)Heavy Atom Count: 41; (8)Formal Charge: 1; (9)Complexity: 709; (10)Isotope Atom Count 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Al+3].n1c8nc(nc6nc(nc4[n-]c(nc2[n-]c1c3ccccc23)c5ccccc45)c7ccccc67)c9ccccc89
(2)InChI: InChI=1/C32H16N8.Al/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;+3
(3)InChIKey: HUVXQFBFIFIDDU-UHFFFAOYAE

Flash Point: °C
Safety Data
 

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