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Name
barium [29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32]cuprate(2-)
- EINECS 266-653-0
- CAS No. 67340-41-4
- Density
- Solubility
- Melting Point
- Formula C32H14BaCuN8O6S2
- Boiling Point
- Molecular Weight 871.5066
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Cuprate(2-),[29H,31H-phthalocyanine-C,C-disulfonato(4-)-N29,N30,N31,N32]-, barium (1:1);Fast Sky Blue;barium copper(2+) phthalocyanine-29,31-diide-8,22-disulfonate (1:1:1);Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-);Copper phthalocyanine disulfonic acid, barium salt;Cuprate(2-), (29H,31H-phthalocyanine-C,C-disulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32)-, barium (1:1);Pigment Blue 17:1;
- PSA
- LogP
Pigment Blue 17:1 Specification
The Cuprate(2-), (29H,31H-phthalocyanine-C,C-disulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32)-, barium (1:1), with the CAS registry number 67340-41-4 and EINECS registry number 266-653-0, has the systematic name of barium copper(2+) phthalocyanine-29,31-diide-8,22-disulfonate (1:1:1). It is a kind of sky blue powder, and has a good light fastness and acid endurance. And the molecular formula of this chemical is C32H14BaCuN8O6S2. What's more, it is usually used for the pigmentation of watercolor, paint and crayon.
The physical properties of Cuprate(2-), (29H,31H-phthalocyanine-C,C-disulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32)-, barium (1:1) are as followings: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 2 ; (3)#H bond acceptors: 14; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 234.42 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Ba+2].[Cu+2].[O-]S(=O)(=O)c1cccc9c1c2nc9nc8[n-]c(nc6nc(nc3[n-]c(n2)c4c3cccc4)c5cccc(c56)S([O-])(=O)=O)c7ccccc78
(2)InChI: InChI=1/C32H16N8O6S2.Ba.Cu/c41-47(42,43)21-13-5-11-19-23(21)32-38-28-18-10-4-2-8-16(18)26(34-28)36-30-20-12-6-14-22(48(44,45)46)24(20)31(40-30)37-27-17-9-3-1-7-15(17)25(33-27)35-29(19)39-32;;/h1-14H,(H2-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46);;/q-2;2*+2/p-2
(3)InChIKey: NGHBMKUPGUYKQG-NUQVWONBAF
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