Nickel(II) naphthenate - 40%-60% in Mixed tetramethylbenzene 6-8% Ni , CAS No.61788-71-4

CAS: 61788-71-4 Cat. No.: N283359 Molecular Weight: 401.04 EC Number: 263-000-1

GRADE & PURITY 40%-60% in Mixed tetramethylbenzene 6-8% Ni

Synonyms

naphthalene-2-carboxylate;nickel(2+) | EINECS 263-000-1 | nickel naphthenate | UIEKYBOPAVTZKW-UHFFFAOYSA-L | Nickel naphthenate, (5-12% Ni)

Storage

Room temperature

Specifications

Synonyms

naphthalene-2-carboxylate;nickel(2+) | EINECS 263-000-1 | nickel naphthenate | UIEKYBOPAVTZKW-UHFFFAOYSA-L | Nickel naphthenate, (5-12% Ni)

Specifications & Purity

40%-60% in Mixed tetramethylbenzene 6-8% Ni

Storage

Room temperature

Names and Identifiers

• Pubchem Sid: 504767690
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767690
• Canonical Smiles: C1=CC=C2C=C(C=CC2=C1)C(=O)[O-].C1=CC=C2C=C(C=CC2=C1)C(=O)[O-].[Ni+2]
• IUPAC Name: naphthalene-2-carboxylate;nickel(2+)
• InChIKey: UIEKYBOPAVTZKW-UHFFFAOYSA-L
• INCHI: 1S/2C11H8O2.Ni/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2
• Isomeric SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)[O-].C1=CC=C2C=C(C=CC2=C1)C(=O)[O-].[Ni+2]
• Molecular Weight: 401.04
• Reaxy-Rn: 3918654
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3918654&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxylic acids
• Alternative Parents: Carboxylic acid salts Organic transition metal salts Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: 2-naphthalenecarboxylic acid - Carboxylic acid salt - Organic transition metal salt - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organic cation - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Molecular Weight: 401.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 400.025 Da
• Monoisotopic Mass: 400.025 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 195.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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