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15187-16-3 molecular structure
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9,18,27,36,37,39,40,41-octaaza-38-plumbadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,10,12,14,16,19,21,23,25,28,30,32,34-hexadecaene

ChemBase ID: 147913
Molecular Formular: C32H22N8Pb
Molecular Mass: 725.77068
Monoisotopic Mass: 726.17339474
SMILES and InChIs

SMILES:
c1cc2c3n4c(c2cc1)Nc1[nH]c(Nc2n(c(Nc5[nH]c(N3)c3c5cccc3)c3c2cccc3)[Pb]4)c2c1cccc2
Canonical SMILES:
c1ccc2c(c1)c1Nc3[nH]c(c4c3cccc4)Nc3n4[Pb]n1c2Nc1[nH]c(c2c1cccc2)Nc4c1c3cccc1
InChI:
InChI=1S/C32H22N8.Pb/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;/h1-16,33,36-40H;/q-2;+2
InChIKey:
VEMLUQXVRZWBSG-UHFFFAOYSA-N

Cite this record

CBID:147913 http://www.chembase.cn/molecule-147913.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9,18,27,36,37,39,40,41-octaaza-38-plumbadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,10,12,14,16,19,21,23,25,28,30,32,34-hexadecaene
IUPAC Traditional name
9,18,27,36,37,39,40,41-octaaza-38-plumbadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,10,12,14,16,19,21,23,25,28,30,32,34-hexadecaene
Synonyms
Phthalocyanine lead salt
Lead(II) phthalocyanine
Lead phthalocyanine
酞菁 铅盐
酞菁铅(II)
CAS Number
15187-16-3
MDL Number
MFCD00053951
Beilstein Number
1235515
PubChem SID
162242094
24863670
PubChem CID
71311312

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71311312 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.665797  H Acceptors
H Donor LogD (pH = 5.5) 7.5076 
LogD (pH = 7.4) 7.5076  Log P 7.5076 
Molar Refractivity 151.5446 cm3 Polarizability 69.62069 Å3
Polar Surface Area 104.6 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Absorption Wavelength
λmax 698 nm expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
2291 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
61-20/22-33-50/53-62 expand Show data source
Safety Statements
53-45-60-61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H332-H360Df-H373-H410 expand Show data source
GHS Precautionary statements
P201-P273-P308 + P313-P501 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2291 6.1/PG 3 expand Show data source
Purity
≥90% (Pb) expand Show data source
Grade
technical expand Show data source
Compostion
Dye content, 80% expand Show data source
Empirical Formula (Hill Notation)
C32H16N8Pb expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 379565 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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