CAS No.67340-41-4,barium [29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32]cuprate(2-) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	67340-41-4
Name:	barium [29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32]cuprate(2-)

Formula:	C₃₂H₁₄BaCuN₈O₆S₂
Molecular Weight:	871.5066
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;
EINECS:	266-653-0

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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