Nickel(2+) diethyl bis(((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate)
Basic information
- CAS
30947-30-9- Standard SMILES
CCOP(=O)([O-])Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCOP(=O)([O-])Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Ni+2]- InChIKey
WPRMJBJYCFNTKE-UHFFFAOYSA-L- Molecular formula
- C34H56NiO8P2
- Average molar mass
- 713.4 g/mol
- Monoisotopic mass
- 712.280384
Names & identifiers
- Preferred name
- Nickel(2+) diethyl bis(((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate)
- IUPAC
- bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate);nickel(2+)
- English name
- Nickel bis[monoethyl(3,5-di-tert-butyl-4-hydroxylbenzyl)phosphonate]
- Molecular formula
- C17H29NiO4P
- Molecular weight
- 387.08
Names & synonyms
Nickel(2+) diethyl bis(((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate)DTXSID2067581Phosphonic acid, ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, monoethyl ester, nickel(2+) salt (2:1)Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, nickel(2+) salt (2:1)Phosphonic acid, P-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, monoethyl ester, nickel(2+) salt (2:1)Nickel(2+) diethyl bis[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate]Phosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, nickel(2+) salt (2:1)RefChem:853923DTXCID7038280250-401-130947-30-9Irgastab 2002
Show more names
Irgastab-20023,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONICACID,MONOETHY.nickel bis[monoethyl(3,5-di-tert-butyl-4-hydroxylbenzyl)phosphonate](3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate,nickel(2+)
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- REACH Annex XVII Substances List
- Nickel(2+) diethyl bis[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate] (30947-30-9)
- EPA Substance Registry System
- 3 · Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, nickel(2+) salt (2:1) (30947-30-9)
- TSCA
- TSCA listed
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 3750 mg/kg NTIS** OTS0539888
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, nickel(2+) salt (2:1)
Restricted substance: Nickel(2+) diethyl bis[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate]
Safety data
- tsca
- TSCA listed
- Toxicity
- LD50 orl-rat: 3750 mg/kg NTIS** OTS0539888
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, nickel(2+) salt (2:1): ACTIVE
Related reactions
0 records
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Compound notes
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