ChemSpider 2D Image | Phthalocyanine | C32H18N8

Phthalocyanine

  • Molecular FormulaC32H18N8
  • Average mass514.539 Da
  • Monoisotopic mass514.165466 Da
  • ChemSpider ID4445497

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2Z)-2,11,20,29,37,38,39,40-Octaazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),21,23,25,27,29,31,33,35-nonadecaene
209-378-3 [EINECS]
29H,30H-Phthalocyanin [German] [ACD/IUPAC Name]
29H,30H-Phthalocyanine [ACD/IUPAC Name]
29H,30H-Phthalocyanine [French] [ACD/IUPAC Name]
29H,31H-Phthalocyanine [ACD/Index Name] [ACD/IUPAC Name]
29H,31H-Phthalocyanine [French] [ACD/Index Name] [ACD/IUPAC Name]
574-93-6 [RN]
6H,30H-Phthalocyanine [ACD/Index Name] [ACD/IUPAC Name]
6H,30H-Phthalocyanine [French] [ACD/Index Name] [ACD/IUPAC Name]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

253103_ALDRICH [DBID]
AIDS006252 [DBID]
AIDS-006252 [DBID]
C14077 [DBID]
CHEBI:34921 [DBID]
CI 74100 [DBID]
HSDB 4350 [DBID]
ZINC04208849 [DBID]
  • Miscellaneous
    • Safety:

      26-37-60 Alfa Aesar 32073
      36/37/38 Alfa Aesar 32073
      H315-H319-H335 Alfa Aesar 32073
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar 32073
      Warning Alfa Aesar 32073
      WARNING: Irritates lungs, eyes, skin Alfa Aesar 32073
      WARNING: Irritates skin and eyes Alfa Aesar 32073
    • Chemical Class:

      A tetrapyrrole fundamental parent that consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen. ChEBI CHEBI:34921
  • Gas Chromatography

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.932
Molar Refractivity: 161.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 8.12
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 109 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 96.9±3.0 dyne/cm
Molar Volume: 338.0±3.0 cm3

Click to predict properties on the Chemicalize site





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