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CAS No.: | 14154-42-8 |
---|---|
Name: | Aluminum phthalocyanine chloride |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C32H16AlClN8 |
Molecular Weight: | 574.967 |
Synonyms: | C.I. Pigment Blue 79;Chloro(phthalocyaninato)aluminum;Chloro[phthalocyaninato(2-)]aluminum;Chlorophthalocyaninealuminum;Monochloroaluminum phthalocyanine;Pigment Blue79;Aluminum,chloro[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-5-12)-;Aluminum,chloro[phthalocyaninato(2-)]- (6CI,7CI,8CI);29H,31H-Phthalocyanine, aluminumcomplex;Aluminum phthalocyanine chloride;C.I. 741300;Chloroaluminum phthalocyanine; |
EINECS: | 237-998-4 |
Melting Point: | >300 °C(lit.) |
Appearance: | COA |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22 |
Safety: | 22-24/25-36/37 |
PSA: | 84.02000 |
LogP: | 2.15390 |
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The IUPAC name of this chemical is Aluminum,chloro[29H,31H-phthalocyaninato(2-)-kN29,kN30,kN31,kN32]-,(SP-5-12)-. With the CAS registry number 14154-42-8 and EINECS registry number 237-998-4, it is also named as Chloroaluminum phthalocyanine. In addition, the molecular formula is C32H16AlClN8 and the molecular weight is 574.96. It is a kind of dark blue to violet fine crystalline and belongs to the classes of Organometallics; Electronic; Al (Alminum) Compounds; Classes of Metal Compounds; Functional Materials; Phthalocyanines; Phthalonitriles & Naphthalonitriles; Typical Metal Compounds.
Physical properties about this chemical are: (1)#H bond acceptors: 8; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 82.33 Å2; (5)H-Bond Acceptor: 3; (6)Exact Mass: 574.100184; (7)MonoIsotopic Mass: 574.100184; (8)Topological Polar Surface Area: 79.3; (9)Heavy Atom Count: 42; (10)Complexity: 709; (11)Covalently-Bonded Unit Count: 3.
Uses of Aluminum,chloro[29H,31H-phthalocyaninato(2-)-kN29,kN30,kN31,kN32]-,(SP-5-12)-: it can be used to manufacture
environmentally phthalocyanine pigments. Also it can be used as organic conductors and optical conductors.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing and gloves and avoid contact with skin and eyes. In addition, do not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl[Al]6n3c2N=C9N=C(N=C7c1ccccc1C(=NC5=NC(=Nc3cc2C=CC=C)c4ccccc45)N67)c8ccccc89
(2)InChI: InChI=1/C32H18N8.Al.ClH/c1-2-3-10-18-17-25-33-26(18)35-28-21-13-6-7-14-22(21)30(37-28)39-32-24-16-9-8-15-23(24)31(40-32)38-29-20-12-5-4-11-19(20)27(34-25)36-29;;/h2-17H,1H2;;1H/q-2;+3;/p-1/rC32H18AlClN8/c1-2-3-10-18-17-25-35-26-19-11-4-5-12-20(19)28(36-26)39-31-23-15-8-9-16-24(23)32-40-29-22-14-7-6-13-21(22)27(37-29)38-30(18)41(25)33(34)42(31)32/h2-17H,1H2/b10-3u,35-25-,35-26u,38-27u,38-30-,39-28+,39-31u,40-29+,40-32u
(3)InChIKey: VZSMUWVEWLVVRM-IGHCBXBYBR