Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

EC number:
205-685-1
EC name:
29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32 copper
CAS number:
147-14-8

No inventory information available

Reference substance information

IUPAC name:
[29H,31H-phthalocyaninato(2-)-kappa~2~N~29~,N~31~]copper
Synonyms
Names:
Copper, [29H,31H-phthalocyaninato( 2-)-N29,N30,N31,N32]-, (SP-4-1)-
Copper, [29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)-
Identifier:
IUPAC name
29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32 copper
Identifier:
other: SMILES notation
C1(/C2=C/3C=CC=C2)=N\C4=N/C(C5=C4C=CC=C5) =N\C6=C7C(C=CC=C7)=C8N6[Cu]N1C3=N/C(C9=C/%10C=CC=C9)=NC%10=N/8

CAS information

CAS number:
147-14-8

Molecular and structural information

Molecular formula:
C32H16CuN8
Molecular weight:
576.069
SMILES notation:
[Cu]1N2\C\3=N/C4=N\C(=N/c5c6ccccc6c(\N=C\7/N=C(\N=C/2\c8ccccc38)c9ccccc79)n15)\c%10ccccc4%10
InChl:
InChI=1/C32H16N8.Cu/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/rC32H16CuN8/c1-2-10-18-17(9-1)25-34-26(18)37-30-23-15-7-8-16-24(23)32-39-28-20-12-4-3-11-19(20)27(35-28)38-31-22-14-6-5-13-21(22)29(36-25)40(31)33-41(30)32/h1-16H
Structural formula:
Chemical structure