CAS 68401-88-7 Tetrabutylammonium Bis(1,3-dithiole-2-thione-4,5-dithiolato)nickel(III) Complex

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Tetrabutylammonium Bis(1,3-dithiole-2-thione-4,5-dithiolato)nickel(III) Complex

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Catalog Number

ACM68401887

Product Name

Tetrabutylammonium Bis(1,3-dithiole-2-thione-4,5-dithiolato)nickel(III) Complex

Structure

CAS

68401-88-7

Category

Magnetic Metal Complexes

IUPAC Name

nickel(3+);2-sulfanylidene-1,3-dithiole-4,5-dithiolate;tetrabutylazanium

Molecular Weight

693.83

Molecular Formula

C22H36NNiS10

Canonical SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1(=C(SC(=S)S1)[S-])[S-].C1(=C(SC(=S)S1)[S-])[S-].[Ni+3]

InChI

InChI=1S/C16H36N.2C3H2S5.Ni/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*4-1-2(5)8-3(6)7-1;/h5-16H2,1-4H3;2*4-5H;/q+1;;;+3/p-4

InChI Key

RORVWUFVFQXASJ-UHFFFAOYSA-J

Melting Point

106 °C

Purity

>98.0%(T)

Appearance

Black powder to crystal

Storage

Store under inert gas

Complexity

442

Covalently-Bonded Unit Count

Exact Mass

691.940829g/mol

Formal Charge

Hazard Statements

H372 : Causes damage to organs through prolonged or repeated exposure.H317 : May cause an allergic skin reaction.H334 : May cause allergy or asthma symptoms or breathing difficulties if inhaled.H350 : May cause cancer.

Heavy Atom Count

MDL Number

MFCD00059124

Monoisotopic Mass

691.940829g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P260 : Do not breathe dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P202 : Do not handle until all safety precautions have been read and understood.P285 : In case of inadequate ventilation wear respiratory protection.P201 : Obtain special instructions before use.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P272 : Contaminated work clothing must not be allowed out of the workplace.P308 + P313 : IF exposed or concerned: Get medical advice/ attention.P304 + P341 : IF INHALED: If breathing is difficult, remove person to fresh air and keep comfortable for breathing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P333 + P313 : If skin irritation or rash occurs: Get medical advice/ attention.P363 : Wash contaminated clothing before reuse.P405 : Store locked up.

Rotatable Bond Count

Signal Word

Danger

MSDS

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COA

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Spec Sheet

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