Sodium dibunate , CAS No.14992-59-7

CAS: 14992-59-7 Cat. No.: S357400 Summenformel: C₁₈H₂₃O₃S・Na Molekulargewicht: 342.43 PubChem CID: 23672302

Synonyms

Dibunato di sodio [DCIT] | Dibunato di sodio | AS-12094 | Dibunato sodico [Spanish] | DTXCID6026905 | L-1633L | Natrii dibunas [Latin] | NCGC00181334-03 | AC-4709 | Q27278154 | sodium;2,6-ditert-butylnaphthalene-1-sulfonate | NCGC00181334-01 | Bechisan |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Dibunato di sodio [DCIT] | Dibunato di sodio | AS-12094 | Dibunato sodico [Spanish] | DTXCID6026905 | L-1633L | Natrii dibunas [Latin] | NCGC00181334-03 | AC-4709 | Q27278154 | sodium;2,6-ditert-butylnaphthalene-1-sulfonate | NCGC00181334-01 | Bechisan |

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

Kanonisches Lächeln

CC(C)(C)C1=CC2=C(C=C1)C(=C(C=C2)C(C)(C)C)S(=O)(=O)[O-].[Na+]

IUPAC Name

sodium;2,6-ditert-butylnaphthalene-1-sulfonate

InChIKey

XYEXKDCAGSHWSD-UHFFFAOYSA-M

INCHI

1S/C18H24O3S.Na/c1-17(2,3)13-8-9-14-12(11-13)7-10-15(18(4,5)6)16(14)22(19,20)21;/h7-11H,1-6H3,(H,19,20,21);/q;+1/p-1

Isomere SMILES

CC(C)(C)C1=CC2=C(C=C1)C(=C(C=C2)C(C)(C)C)S(=O)(=O)[O-].[Na+]

PubChem CID

23672302

Molekulargewicht

342.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Ebene5 Naphthalene sulfonates
          • Ebene6 1-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 1-naphthalene sulfonates
• Alternative Parents: 1-naphthalene sulfonic acids and derivatives Arylsulfonic acids and derivatives Sulfonyls Organosulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): >300° C
• Molekulargewicht: 342.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 342.127 Da
• Monoisotopic Mass: 342.127 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 496.000
• 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: 2

XLogP3

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 14992-59-7, the molecular formula is C18H23O3S?Na, and the molecular weight is 342.43 g/mol. InChIKey XYEXKDCAGSHWSD-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.