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REACH

Polychloro copper phthalocyanine

EC number: 215-524-7 | CAS number: 1328-53-6 This substance is identified in the Colour Index by Colour Index Constitution Number, C.I. 74260.

Life Cycle description
Uses advised against

Reference substances

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IUPAC name:: [1,2,3,4,8,9,10,11,15,16,17,18,22,23,25-pentadecachloro-5,26-dihydro-29H,31H-phthalocyaninato(2-)-kappa~2~N~29~,N~31~]copper

Inventory

EC number:: 215-524-7
EC name:: Polychloro copper phthalocyanine
CAS number:: 1328-53-6
Description:: This substance is identified in the Colour Index by Colour Index Constitution Number, C.I. 74260.
CAS number:: 1328-53-6

Synonyms

Names:: C.I. Pigment Green 7
Identifier:: CAS number; 1328-536
Identifier:: IUPAC name; [1,2,3,4,8,9,10,11,15,16,17,18,22,23,25-pentadecachloro-5,26-dihydro-29H,31H-phthalocyaninato(2-)-kappa~2~N~29~,N~31~]copper
Identifier:: IUPAC name; [1,2,3,4,8,9,10,11,15,16,17,18,22,23,25-pentadecachloro-5,26-dihydro-29H,31H-phthalocyaninato(2-)-kappa~2~N~29~,N~31~]copper
Identifier:: IUPAC name; 29H,31H-phthalocyaninato(2-)-kappa~2~N~29~,N~31~]copper, chlorinated
Identifier:: IUPAC name; 29H,31H-phthalocyaninato(2-)-kappa~2~N~29~,N~31~]copper, chlorinated
Identifier:: IUPAC name; Polychloro Copper Phthalocyanine
Identifier:: IUPAC name; Polychloro copper phthalocyanine
Identifier:: IUPAC name; [1,2,3,4,8,9,10,11,15,16,17,18,22,23,25-pentadecachloro-5,26-dihydro-29H,31H-phthalocyaninato(2-)- kappa~2~N~29~,N~31~]copper
Identifier:: IUPAC name; [1,2,3,4,8,9,10,11,15,16,17,18,22,23,25-pentadecachloro-5,26-dihydro-29H,31H-phthalocyaninato(2-)-κ2N29,N31]copper
Identifier:: IUPAC name; [1,2,3,4,8,9,10,11,15,16,17,18,22,23,25-pentadecachloro-5,26-dihydro-29H,31Hphthalocyaninato(2-)-kappa~2~N~29~,N~31~]copper
Identifier:: IUPAC name; polychloro copper phthalocyanine
Identifier:: Colour Index; C.I. Pigment Green 7
Identifier:: other: InChl; 1S/C32HCl15N8.Cu/c33-3-1-2-4(12(35)11(3)34)26-48-25(2)49-27-5-6(14(37)20(43)19(42)13(5)36)29(51-27)53-31-9-10(18(41)24(47)23(46)17(9)40)32(55-31)54-30-8-7(28(50-26)52-30)15(38)21(44)22(45)16(8)39;/h1H;/q-2;+2
Identifier:: other: InChl; InChI=1S/C32Cl16N8.Cu/c33-9-1-2(10(34)18(42)17(9)41)26-49-25(1)53-27-3-4 (12(36)20(44)19(43)11(3)35)29(50-27)55-31-7-8(16(40)24(48)23(47)15(7)39) 32(52-31)56-30-6-5(28(51-30)54-26)13(37)21(45)22(46)14(6)38;/q-2;+2
Identifier:: other: Molecular formula; C32Cl15HCuN8
Identifier:: other: InChl; 1S/C32HCl15N8.Cu/c33-3-1-2-4(12(35)11(3)34)26-48-25(2)49-27-5-6(14(37)20(43)19(42)13(5)36)29(51-27)53-31-9-10(18(41)24(47)23(46)17(9)40)32(55-31)54-30-8-7(28(50-26)52-30)15(38)21(44)22(45)16(8)39;/h1H;/q-2;+2
Identifier:: other: SMILES notation; C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C3=NC4=NC(=NC5=C6C(=C([N-]5)N=C7C8=C(C(=C(C (=C8Cl)Cl)Cl)Cl)C(=N7)N=C2[N-]3)C(=C(C(=C6Cl)Cl)Cl)Cl)C9=C4C(=C(C(=C9Cl) Cl)Cl)Cl.[Cu+2]
Identifier:: other: SMILES notation; C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C3=NC4=NC(=NC5=C6C(=C([N-]5)N=C7C8=C(C(=C(C(=C8Cl)Cl)Cl)Cl)C(=N7)N=C2[N-]3)C(=C(C(=C6Cl)Cl)Cl)Cl)C9=C4C(=C(C(=C9Cl)Cl)Cl)Cl.[Cu+2]
Identifier:: other: SMILES notation; C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C3=NC4=NC(=NC5=C6C(=C([N-]5)N=C7C8=C(C(=C(C(=C8Cl)Cl)Cl)Cl)C(=N7)N=C2[N-]3)C(=C(C(=C6Cl)Cl)Cl)Cl)C9=C4C(=C(C(=C9Cl)Cl)Cl)Cl.[Cu+2]
Identifier:: other: Molecular formula; C32 Hx Cly Cu N8 x+y=16
Identifier:: other: Molecular formula; C32 Hx Cly Cu N8, x+y=16
Identifier:: other: Molecular formula; C32 Hx Cly Cu N8, x+y=16
Identifier:: other: Molecular formula; C32Cl16CuN8
Identifier:: other: Molecular formula; C32H0-2Cl14-16CuN8
Identifier:: other: Molecular formula; C32H16−xClxCuN8
Identifier:: other: Molecular formula; C32H1N8Cl15Cu
Identifier:: other: Molecular formula; C32H3Cl15CuN8
Identifier:: other: Molecular formula; C32H3Cl15N8.Cu
Identifier:: other: Molecular formula; C32HxCl(16-x)CuN8
Identifier:: other: Molecular formula; C32HxClyCuN8 with x + y = 16 the most common represantative has x = 1 and y = 15
Identifier:: other: Molecular formula; C32HxClyCuN8, x+y=16
Identifier:: other: Molecular formula; C32HxClyCuN8; x + y = 16; 0 <= x < 15; 1 < y <= 16
Identifier:: other: Molecular formula; C32N8Cl16Cu
Identifier:: other: InChl; InChI=1S/C32Cl16N8.Cu/c33-9-1-2(10(34)18(42)17(9)41)26-49-25(1)53-27-3-4 (12(36)20(44)19(43)11(3)35)29(50-27)55-31-7-8(16(40)24(48)23(47)15(7)39) 32(52-31)56-30-6-5(28(51-30)54-26)13(37)21(45)22(46)14(6)38;/q-2;+2
Identifier:: other: InChl; InChI=1S/C32Cl16N8.Cu/c33-9-1-2(10(34)18(42)17(9)41)26-49-25(1)53-27-3-4(12(36)20(44)19(43)11(3)35)29(50-27)55-31-7-8(16(40)24(48)23(47)15(7)39) 32(52-31)56-30-6-5(28(51-30)54-26)13(37)21(45)22(46)14(6)38;/q-2;+2
Identifier:: other: InChl; InChI=1S/C32Cl16N8.Cu/c33-9-1-2(10(34)18(42)17(9)41)26-49-25(1)53-27-3-4(12(36)20(44)19(43)11(3)35)29(50-27)55-31-7-8(16(40)24(48)23(47)15(7)39)32(52-31)56-30-6-5(28(51-30)54-26)13(37)21(45)22(46)14(6)38;/q-2;+2
Identifier:: other: SMILES notation; Not applicable for UVCB substance
Identifier:: other: InChl; Not applicable for UVCB substance
Identifier:: other: Molecular formula; Not available
Identifier:: other: SMILES notation; UVCB
Identifier:: other: SMILES notation; c1c\2c(c(c(c1Cl)Cl)Cl)c3/[n-]/c2n\c-4n/c(n\c5c6c(c(c(c(c6Cl)Cl)Cl)Cl)c([n-]5)/nc/7\nc(\n3)-c8c7c(c(c(c8Cl)Cl)Cl)Cl)/c9c4c(c(c(c9Cl)Cl)Cl)Cl.[Cu+2]
Identifier:: other: Molecular formula; not available

Molecular and structural information

Molecular formula:: C32HxClyCuN8
Molecular weight:: >= 989.35 - <= 1 128.4
SMILES notation:: Clc1cc(Cl)c2C3N=C(\N=C\4/N5[Cu]N6C(\N=C\7/N=C(\N=C/5\c8c(Cl)c(Cl)c(Cl)c(Cl)c48)c9c(Cl)c(Cl)c(Cl)c(Cl)c79)c%10c(Cl)c(Cl)c(Cl)c(Cl)c%10/C/6=N/3)c2c1Cl
InChl:: InChI=1/C32H3Cl15N8.Cu/c33-2-1-3(34)12(35)5-4(2)25-48-26(5)50-28-8-9(16(39)22(45)21(44)15(8)38)30(52-28)54-32-11-10(17(40)23(46)24(47)18(11)41)31(55-32)53-29-7-6(27(49-25)51-29)13(36)19(42)20(43)14(7)37;/h1,25,29H;/q-2;+2/rC32H3Cl15CuN8/c33-2-1-3(34)12(35)5-4(2)25-49-26(5)52-30-10-11(18(41)24(47)23(46)17(10)40)32-54-28-7-6(13(36)19(42)20(43)14(7)37)27(50-28)53-31-9-8(15(38)21(44)22(45)16(9)39)29(51-25)55(31)48-56(30)32/h1,25,31H
Structural formula:

Related substances

Identifier:: CAS number
Identity:: 68987-63-3

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