Name: NICKEL(II) PHTHALOCYANINE-TETRASULFONIC ACID TETRASODIUM SALT
SKU: 27835-99-0

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Basic Information

Molecular Structure:
CAS No.:	27835-99-0
Name:	NICKEL(II) PHTHALOCYANINE-TETRASULFONIC ACID TETRASODIUM SALT

Formula:	C₃₂H₁₂N₈NiO₁₂S₄^.₄Na
Molecular Weight:	979.4
Synonyms:	Nickel,[tetrahydrogen phthalocyaninetetrasulfonato(2-)]-, tetrasodium salt (8CI);Nickelate(4-),[29H,31H-phthalocyanine-C,C,C,C-tetrasulfonato(6-)-N29,N30,N31,N32]-,tetrasodium;Nickelate(4-), [29H,31H-phthalocyanine-C,C,C,C-tetrasulfonato(6-)-kN29,kN30,kN31,kN32]-, tetrasodium (9CI);29H,31H-Phthalocyanine-C,C,C,C-tetrasulfonic acid, nickel complex;Nickel (II)phthalocyaninetetrasulfonic acid, tetrasodium salt;Tetrasulfonated nickelphthalocyanine sodium salt;
Hazard Symbols:	T
Risk Codes:	49-42/43
Safety:	53-22-36/37/39-45
PSA:	346.34000
LogP:	1.40400

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Specification

The CAS register number of Nickel(II) phthalocyanine-tetrasulfonic acid is 27835-99-0. It also can be called as Nickel (II) phthalocyaninetetrasulfonic acid tetrasodium salt and Nickelate(4-),[29H,31H-phthalocyanine-C,C,C,C-tetrasulfonato(6-)-kN29,kN30,kN31,kN32]-, sodium (1:4).

When you are using this chemical, please be cautious about it as the following:
This chemical may cause cancer by inhalation, it also may cause sensitization by inhalation and skin contact. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also do not breathe dust and avoid exposure - obtain special instructions before use. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1S(=O)(=O)[O-])c3/nc/4\nc(/nc\5/c6ccc(cc6c7/n5[Ni]n3c2/nc/8\nc(\n7)-c9c8ccc(c9)S(=O)(=O)[O-])S(=O)(=O)[O-])-c1c4ccc(c1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
(2)InChI: InChI=1/C32H16N8O12S4.4Na.Ni/c41-53(42,43)13-1-5-17-21(9-13)29-34-25(17)33-26-18-6-2-15(55(47,48)49)11-23(18)31(35-26)40-32-24-12-16(56(50,51)52)4-8-20(24)28(39-32)38-30-22-10-14(54(44,45)46)3-7-19(22)27(36-29)37-30;;;;;/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);;;;;/q-2;4*+1;+2/p-4/rC32H16N8NiO12S4.4Na/c42-54(43,44)13-2-6-18-21(9-13)27-34-26(18)36-31-23-11-15(56(48,49)50)3-7-19(23)29-35-25-17-5-1-14(55(45,46)47)10-22(17)28(33-25)38-32-24-12-16(57(51,52)53)4-8-20(24)30(37-27)40(32)41-39(29)31;;;;/h1-12H,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;/q;4*+1/p-4/b35-25-,35-29-,36-26-,36-31-,37-27-,37-30-,38-28-,38-32-;;;;
(3)InChIKey: UAMQBHBCNOEWGQ-YHXQPSNNBF
(4)Std. InChI: InChI=1S/C32H16N8O12S4.4Na.Ni/c41-53(42,43)13-1-5-17-21(9-13)29-34-25(17)33-26-18-6-2-15(55(47,48)49)11-23(18)31(35-26)40-32-24-12-16(56(50,51)52)4-8-20(24)28(39-32)38-30-22-10-14(54(44,45)46)3-7-19(22)27(36-29)37-30;;;;;/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);;;;;/q-2;4*+1;+2/p-4
(5)Std. InChIKey: UAMQBHBCNOEWGQ-UHFFFAOYSA-J