Nickel, [[alpha,alpha'-(ethylenedinitrilo)di-o-cresolato](2-)]-
Basic information
- CAS
14167-20-5- Standard SMILES
[Ni+2].[O-]c1ccccc1C=NCCN=Cc1ccccc1[O-]- InChIKey
DKBSGGSJQXGHBV-UHFFFAOYSA-L- Molecular formula
- C16H14N2NiO2
- Average molar mass
- 324.99 g/mol
- Monoisotopic mass
- 324.040869
Overview
See also: N,N'-Bis(salicylidene)ethylenediaminonickel(II) (annotation moved to).
Names & identifiers
- Preferred name
- Nickel, [[alpha,alpha'-(ethylenedinitrilo)di-o-cresolato](2-)]-
- IUPAC
- nickel(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
- English name
- N,N'-Bis(salicylidene)ethylenediaminonickel(II)
- Molecular formula
- C16H14N2NiO2
- Molecular weight
- 324.99
Names & synonyms
Nickel, [[alpha,alpha'-(ethylenedinitrilo)di-o-cresolato](2-)]-14167-20-5DTXSID401047873RDC-0002C-0002N,N'-bis(salicylidene)ethylene diaminonickle (II)nickelous 2-[(E)-2-[(E)-(2-hydroxyphenyl)methyleneamino]ethyliminomethyl]phenolNickel(II) salenN,N'-Ethylenebis(salicylideniminato)nickelBis(salicylaldehyde)ethylenediiminatonickelNickel, [N,N'-ethylenebis(salicylaldiminato)]-N,N'-Bis(salicylidene)ethylenediaminonickel(II)
Show more names
[[α,α′-(Ethylenedinitrilo)di-o-cresolato](2-)]nickelN,N′-Bis(salicylidene)ethylenediaminonickel(II)[[2,2′-[1,2-Ethanediylbis[(nitrilo-κN)methylidyne]]bis[phenolato-κO]](2-)]nickelNickel, [[2,2'-[1,2-ethanediylbis(nitrilomethylidyne)]bis[phenolato]](2-)-N,N',O,O']-, (SP-4-2)-
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 150 °C · >150 °C (decomp)
- InChI
- InChI=1S/C16H16N2O2.Ni/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;/h1-8,11-12,19-20H,9-10H2;/q;+2/p-2/b17-11+,18-12+;
- InChIKey
- DKBSGGSJQXGHBV-OYJDLGDISA-L
- SMILES
- C12C=CC=CC=1C=NCCN=CC1C=CC=CC=1O[Ni]O2 |t:7,11|
- UNSPSC Code
- 12352300 · 12352300
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H315-H317-H319-H334-H335-H350
- Precautionary statements
- 201 · P201-P261-P280-P305+P351+P338-P308+P313
- target organs
- Respiratory system
- PPE
- 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- Hazard Codes
- T
- Risk Statements
- 45 · 45-20/21/22-36/37/38-42/43
- Safety Statements
- 53 · 53-26-36/37/39-45
- WGK Germany
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- risk_code
- 45-20/21/22-36/37/38-42/43
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- T
- safety_code
- 53-26-36/37/39-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H317-H319-H334-H335-H350
- Hazard Classifications
- Acute Tox. 4 OralCarc. 1BEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P201-P261-P280-P305+P351+P338-P308+P313
Chemistry & industry
Applications
UsesCatalyst for:Covalent functionalization of multiwall carbon nanotubesReduction reactionsEpoxidation reactionsReduction and intramolecular cyclization
Suppliers
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Related reactions
0 records
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Compound notes
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