Chloroaluminum(2+);2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene
Basic information
- CAS
14154-42-8- Standard SMILES
[Al+2][Cl].c1ccc2c(c1)-c1nc3nc(nc4[n-]c(nc5[n-]c(nc-2n1)c1ccccc51)c1ccccc41)-c1ccccc1-3- InChIKey
LBGCRGLFTKVXDZ-UHFFFAOYSA-M- Molecular formula
- C32H16AlClN8
- Average molar mass
- 575 g/mol
- Monoisotopic mass
- 574.1001836
Overview
See also: Aluminum phthalocyanine chloride (preferred).
Names & identifiers
- Preferred name
- Chloroaluminum(2+);2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene
- IUPAC
- chloroaluminum(2+);2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene
- English name
- Aluminum phthalocyanine chloride
- Molecular formula
- C32H16AlClN8
- Molecular weight
- 574.97
Names & synonyms
CLACPCALPCCLAlPCCIPB79 ALUMINUM PHTHALOCYANINECHLOROALUMINUM PHTHALOCYANINEPHTHALOCYANINE CHLOROALUMINUMAluminumphthalocyaninechorideChloridealuminiumphthalocyaninePhthalocyaninealuminiumchlorideALUMINUM PHTHALOCYANINE CHLORIDE
Database identifiers
- CAS
14154-42-8- PubChem CID
- 6508735
Properties
Computed structural properties
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 711
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Very Dark Blue
- λmax
- 680 nm · 680 nm
- Stability
- Light Sensitive
- InChIKey
- LBGCRGLFTKVXDZ-UHFFFAOYSA-M
- SMILES
- Cl[Al]1n2c3nc4nc(nc5n1c(nc6nc(nc2c7ccccc37)c8ccccc68)c9ccccc59)c%10ccccc4%10
- EPA Substance Registry System
- 29 H,31H-phthalocyaninato · Aluminum, chloro[29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-5-12)- (14154-42-8)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 22-24/25-36/37
- Storage Class
- 11 - Combustible Solids
- REACH Registrations
- Active
Chemistry & industry
Applications
UsesAluminum phthalocyanine chloride (CAS# 14154-42-8) is a fluorescent organometallic compound, able to generate reactive oxygen species. The photophysical properties of aluminum phthalocyanine chloride has allowed for the preparation of thin film organic photodetectors for indirect X-ray detection.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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