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Reference substances

Reference substances

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General information

Inventory

EC number:
235-476-0
EC name:
Copper chlorophthalocyanine
CAS number:
12239-87-1

No inventory information available

Reference substance information

IUPAC name:
[1-chloro-29H,31H-phthalocyaninato(2-)-kappa~2~N~29~,N~31~]copper
Synonyms
Names:
Copper, [C-chloro-29H,31H-phthalocyaninato( 2-)-N29,N30,N31,N32]-
Copper, [C-chloro-29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-
Identifier:
other: Molecular formula
C32H15ClCuN8

CAS information

CAS number:
12239-87-1

Molecular and structural information

Molecular formula:
C32 Hx Cly Cu N8, x + y = 16, 11 <= x <= 16, 0 <= y <= 5
Molecular weight:
>= 576.07 - <= 748.32
SMILES notation:
Clc%10cccc7c%10C/1=N/C9=N/C(=N\c4n2[Cu]N\1\C7=N/C6=N/C(=N\c2c3ccccc34)c5ccccc56)c8ccccc89
InChl:
InChI=1/C32H15ClN8.Cu/c33-23-15-7-14-22-24(23)32-40-30-21-13-6-5-12-20(21)28(38-30)36-26-17-9-2-1-8-16(17)25(34-26)35-27-18-10-3-4-11-19(18)29(37-27)39-31(22)41-32;/h1-15H;/q-2;+2/rC32H15ClCuN8/c33-23-15-7-14-22-24(23)32-40-28-19-11-4-3-10-18(19)26(36-28)38-30-21-13-6-5-12-20(21)29-37-25-16-8-1-2-9-17(16)27(35-25)39-31(22)42(32)34-41(29)30/h1-15H
Structural formula:
Chemical structure