Tetrabutylammonium Bis(3,6-dichloro-1,2-benzenedithiolato)nickelate
Basic information
- CAS
87314-14-5- Standard SMILES
CCCC[N+](CCCC)(CCCC)CCCC.[Ni+3].[S-]c1c(Cl)ccc(Cl)c1[S-].[S-]c1c(Cl)ccc(Cl)c1[S-]- InChIKey
DPTWRZYDNJMUTE-UHFFFAOYSA-J- Molecular formula
- C28H40Cl4NNiS4
- Average molar mass
- 719.4 g/mol
- Monoisotopic mass
- 716.015112
Names & identifiers
- Preferred name
- Tetrabutylammonium Bis(3,6-dichloro-1,2-benzenedithiolato)nickelate
- IUPAC
- bis(3,6-dichlorobenzene-1,2-dithiolate);nickel(3+);tetrabutylazanium
- English name
- Tetrabutylammonium bis(3 6-dichloro-1 2&
- Molecular formula
- C28H44Cl4NNiS4
- Molecular weight
- 723.4
Names & synonyms
RefChem:896740808-216-4Tetrabutylammonium Bis(3,6-dichloro-1,2-benzenedithiolato)nickelate3,6-Dichlorobenzene-1,2-dithiolate;nickel(3+);tetrabutylazaniumTetrabutylammonium bis(3,6-dichloro-1,2-benzene-dithiolato)nickelate1-Butanaminium, N,N,N-tributyl-, (SP-4-1)-bis[3,6-dichloro-1,2-benzenedithiolato(2-)-S,S']nickelate(1-)Tetrabutylammonium bis(3 6-dichloro-1 2&tetrabutylammonium bis(3,6-dichloro-1,2-benzenediNickel(III) tetrabutylammonium 3,6-dichlorobenzene-1,2-bis(thiolate)Tetrabutylammonium Bis(3,6-dichloro-1,2-benzenedithiolato)nickel(III) Complex
Database identifiers
- CAS
87314-14-5- PubChem CID
- 16212902
- EC Number
- 808-216-4
Properties
Computed structural properties
- Topological polar surface area
- 4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 204 · 204-206 °C(lit.)
- form
- powder to crystal
- color
- Green to Dark green
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 372 · H372-H350-H317-H334
- Precautionary statements
- 261 · P261-P285-P304+P341-P342+P311-P501-P260-P264-P270-P314-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HS Code
- 2930.9 · 2930.90.2900
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P233, P260, P261, P264, P270, P271, P272, P280, P284, P302+P352, P304+P340, P318, P319, P321, P333+P317, P342+P316, P362+P364, P403, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- wgk
- 3
- hs_code
- 2930.90.2900
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard statements
- H372-H350-H317-H334
- Precautionary statements
- P261-P285-P304+P341-P342+P311-P501-P260-P264-P270-P314-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
UsesTetrabutylammonium bis(3,6-dichloro-1,2-benzenedithiolato)nickelate (CAS# 87314-14-5) is a near-IR absorbing compound used in the preparation. Dyes and metabolites IR-absorbing inks.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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