Phthalocyanine

• CAS: 574-93-6
• Catalog Number: ACM574936-5
• Category: Promotional Products
• Molecular Weight: 514.54
• Molecular Formula: C32H18N8
• Description: Alfa Chemistry offers Phthalocyanine products for various research purposes. Please contact us by email if you do not find the specification you are looking for on this page.
• Synonyms: 5,10,15,20-Tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin
• 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
• Canonical 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
• Melting Point: >300°C (dec.)(lit.)
• Density: 1.489 g/cm³
• Solubility: Insoluble in water
• Appearance: solid
• 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.
• Complexity: 777
• Covalently-Bonded Unit Count: 1
• EC Number: 209-378-3
• Exact Mass: 514.165g/mol
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Heavy Atom Count: 40
• MDL Number: MFCD00005085
• Monoisotopic Mass: 514.165g/mol
• Packaging: 1 ton
• Physical State: (20 deg.C) Solid
• Refractive Index: 1.931
• Topological Polar Surface Area: 109A^2
• UNII: V5PUF4VLGY

Custom Q&A

What is the PubChem CID for Phthalocyanine?

The PubChem CID for Phthalocyanine is 86280045.

What is the molecular formula of Phthalocyanine?

The molecular formula of Phthalocyanine is C32H18N8.

What is the molecular weight of Phthalocyanine?

The molecular weight of Phthalocyanine is 514.5 g/mol.

When was Phthalocyanine created?

Phthalocyanine was created on December 3, 2014.

What is the IUPAC name of Phthalocyanine?

The IUPAC name of Phthalocyanine is 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.1 3,10 .1 12,19 .1 21,28 .0 4,9 .0 13,18 .0 22,27 .0 31,36 ]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene.

What is the InChIKey of Phthalocyanine?

The InChIKey of Phthalocyanine is IEQIEDJGQAUEQZ-UHFFFAOYSA-N.

What is the canonical SMILES of Phthalocyanine?

The canonical SMILES of Phthalocyanine is 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.

What is the CAS number of Phthalocyanine?

The CAS number of Phthalocyanine is 574-93-6.

How many hydrogen bond donor counts does Phthalocyanine have?

Phthalocyanine has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Phthalocyanine have?

Phthalocyanine has 6 hydrogen bond acceptor counts.