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Phthalocyanine

Catalog Number
ACM574936-5
Product Name
Phthalocyanine
Structure
Phthalocyanine
CAS
574-93-6
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Synonyms
29H,31H-Phthalocyanine; Pigment Blue 16
IUPAC Name
2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;
Molecular Weight
514.53
Molecular Formula
C32H18N8
SMILES
C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C(N5)N=C7C8=CC=CC=C8C(=N7)N=C2N3)C9=CC=CC=C94;
InChI
InChI=1S/C32H18N8/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,(H2,33,34,35,36,37,38,39,40);
InChI Key
IEQIEDJGQAUEQZ-UHFFFAOYSA-N;
Purity
99%+
Appearance
Soild
Application
Phthalocyanine is a group of benzoporphyrins which have strong pigmenting power, forming a family of dyes. The basic structure of the molecule comprises four isoindole groups (C6H4,)C2N, joined by four nitrogen atoms. Four commercially important modifications are: (a) metal free phthalocyanine (C6H4C2N)4, having a bluegreen color,(b copper phthalocyanine in which a copper atom is held by secondary valences of the isoindole nitrogen atoms, (c) chlorinated copper phthalocyanine, green, in which 15 to 16 hydrogen atoms are replaced by chlorine, and (d) sulphonated copper phthalocyanine, water-soluble and green, in which two hydrogens are replaced by sulphonic acid groups. It is used in decorative enamels and automotive finishes; chlorophyll and haems have basic phthalocyanine structures in their molecules.
EC Number
209-378-3
UNII
V5PUF4VLGY
Exact Mass
514.165g/mol
Monoisotopic Mass
514.165g/mol
Topological Polar Surface Area
109A^2
Heavy Atom Count
40
Complexity
777
Covalently-Bonded Unit Count
1
H-Bond Donor
2
H-Bond Acceptor
6
Application
Phthalocyanine is a group of benzoporphyrins which have strong pigmenting power, forming a family of dyes. The basic structure of the molecule comprises four isoindole groups (C6H4,)C2N, joined by four nitrogen atoms. Four commercially important modifications are: (a) metal free phthalocyanine (C6H4C2N)4, having a bluegreen color,(b copper phthalocyanine in which a copper atom is held by secondary valences of the isoindole nitrogen atoms, (c) chlorinated copper phthalocyanine, green, in which 15 to 16 hydrogen atoms are replaced by chlorine, and (d) sulphonated copper phthalocyanine, water-soluble and green, in which two hydrogens are replaced by sulphonic acid groups. It is used in decorative enamels and automotive finishes; chlorophyll and haems have basic phthalocyanine structures in their molecules.
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