Salcomine

HCID 26517

Notes Reactions

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Basic information

CAS: 14167-18-1
Standard SMILES: [Co+2].[O-]c1ccccc1C=NCCN=Cc1ccccc1[O-]
InChIKey: NPAQSKHBTMUERN-UHFFFAOYSA-L
Molecular formula: C16H14CoN2O2
Average molar mass: 325.23 g/mol
Monoisotopic mass: 325.038721

Names & identifiers

Preferred name: Salcomine
IUPAC: cobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
English name: SALCOMINE
Molecular formula: C16H14CoN2O2
Molecular weight: 325.23

Names & synonyms

14167-18-1SALCOMINESalcomincobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolateMFCD00000009Salicylaldehyde ethylenediimine cobalt(N,N'-Bis(salicylidene)ethylenediamine)cobalt(II)Bis(salicylaldehyde)ethylenediimine cobalt(II)(N,N'-Ethylenebis(salicylaldehyde iminato))cobalt(II)(Ethylenebis(nitrilomethylidyne)-2,2'-diphenolato)cobalt(II)Cobalt, N,N'-ethylenebis(salicylideneiminato)-N,N-Ethylenebis(salicylideneiminato)cobalt(II)

Show more names

Co(salen)SALEN-COCO(SALEN)2Cobalt salen[N,N'-Bis(salicylidene)ethane-1,2-diaminato]cobalt(II)o’)-o(sp-4-2)-

N,N'-Bis(salicylidene)ethylenediiminocobalt(II)N2O9115YTKNSC32965NSC-32965C16H14CoN2O2N,N'-Bis(salicylidene)ethylenediaminocobalt(II)SALCOMINE [HSDB]SCHEMBL510827

Database identifiers

CAS: 14167-18-1
PubChem CID: 26517
UNII: N2O9115YTK

Properties

Computed structural properties

Topological polar surface area: 70.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 298

Physicochemical properties

Melting point: 300 °C · >300 °C
storage temp.: Inert atmosphere,Room Temperature
form: Powder
color: Orange to Amber to Dark red
Water Solubility: Insoluble in water. Soluble in benzene, chloroform, and pyridine.
Stability: Stable. Incompatible with strong acids, strong oxidizing agents.
InChI: InChI=1S/C16H16N2O2.Co/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: NPAQSKHBTMUERN-OYJDLGDISA-L
SMILES: C12=CC=CC=C1C=NCCN=CC1=CC=CC=C1O[Co]O2 |t:7,11|
EWG's Food Scores: 1 · 1
FDA UNII: 2 O9115YTK · N2O9115YTK
EPA Substance Registry System: Salcomine (14167-18-1)
UNSPSC Code: 12161600 · 12161600
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 2 · 2
RTECS: 590000 · GG0590000
F: 10 · 10
TSCA: TSCA listed
HS Code: 29349990 · 29349990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Hazardous Substances Data: 14167 · 14167-18-1(Hazardous Substances Data)
Toxicity: 390 mg/m3/5.5H · mouse,LCLo,inhalation,390mg/m3/5.5H (390mg/m3),LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHILUNGS, THORAX, OR RESPIRATION: OTHER CHANGESLUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA,Aerospace Medical Research Laboratory Report. Vol. TR-74-78, Pg. 1974,

Safety & regulation

Safety data

F: 10
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 2
tsca: TSCA listed
rtecs: GG0590000
hs_code: 29349990
Toxicity: mouse,LCLo,inhalation,390mg/m3/5.5H (390mg/m3),LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHILUNGS, THORAX, OR RESPIRATION: OTHER CHANGESLUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA,Aerospace Medical Research Laboratory Report. Vol. TR-74-78, Pg. 1974,
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazardous Substances Data: 14167-18-1(Hazardous Substances Data)

Chemistry & industry

Applications · 2 items

UsesSalcomine catalyzes the oxidation of 2,6-disubstituted phenols by dioxygen. Experimental inhibitor of human cytμloviris proteinase activity. Metal complex dyes used as redox catalysts.

General DescriptionA solid complex between the cobalt(II) ion and the condensation product of salicylaldehyde and ethylenediamine. Such condensation products are called "Schiff's bases." Complexation with cobalt nullifies their basic properties. Used as a catalyst for various oxidation reactions in which SALCOMINE behaves as an oxygen carrier.