Sodium phenoxide - Reagent grade , CAS No.139-02-6

CAS: 139-02-6 Cat. No.: S432024 Summenformel: C₆H₅NaO Molekulargewicht: 116.09 EG-Nummer: 205-347-3

GRADE & PURITY Reagent Grade

Synonyms

NCGC00257188-01 | Phenol sodium salt | C6H5NaO | Phenol sodium | Q410045 | SODIUM PHENOXIDE [INCI] | Phenol, sodium salt (1:1) | EINECS 205-347-3 | AKOS009031400 | Caswell No. 786A | D05455 | MFCD00013134 | Sodium phenate | sodium benzenolate | Benzenesul

Storage

Room temperature

Shipped In

FedEx DG Service

Übersicht

Other Notes

Please note that Aladdin provides this product to early discovery researchers as part of a collection of unique chemicals. Aladdin does not collect analytical data for this product. Buyer assumes responsibility to confirm product identity and/or purity. All sales are final. NOTWITHSTANDING ANY CONTRARY PROVISION CONTAINED IN Aladdin′S STANDARD TERMS AND CONDITIONS OF SALE OR AN AGREEMENT BETWEEN Aladdin AND BUYER, Aladdin SELLS THIS PRODUCT "AS-IS" AND MAKES NO REPRESENTATION OR WARRANTY WHATSOEVER WITH RESPECT TO THIS PRODUCT, INCLUDING ANY (A) WARRANTY OF MERCHANTABILITY; (B) WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE; OR (C) WARRANTY AGAINST INFRINGEMENT OF INTELLECTUAL PROPERTY RIGHTS OF A THIRD PARTY; WHETHER ARISING BY LAW, COURSE OF DEALING, COURSE OF PERFORMANCE, USAGE OF TRADE OR OTHERWISE.

Specifications

Synonyme

NCGC00257188-01 | Phenol sodium salt | C6H5NaO | Phenol sodium | Q410045 | SODIUM PHENOXIDE [INCI] | Phenol, sodium salt (1:1) | EINECS 205-347-3 | AKOS009031400 | Caswell No. 786A | D05455 | MFCD00013134 | Sodium phenate | sodium benzenolate | Benzenesul

Spezifikationen & Reinheit

Reagent grade

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

Reagent Grade

Namen und Kennungen

• Kanonisches Lächeln: C1=CC=C(C=C1)[O-].[Na+]
• IUPAC Name: sodium;phenoxide
• InChIKey: NESLWCLHZZISNB-UHFFFAOYSA-M
• INCHI: 1S/C6H6O.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1
• Isomere SMILES: C1=CC=C(C=C1)[O-].[Na+]
• Alternative CAS-Nummer: 156150-40-2
• UN-Nummer: 2905
• Verpackungsgruppe: III
• Molekulargewicht: 116.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenoxides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenoxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxides
• Alternative Parents: Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxide - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenoxides. These are salts or analogous metal derivatives of phenols.
• External Descriptors: phenolate

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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): >300°C
• Molekulargewicht: 116.090 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 116.024 Da
• Monoisotopic Mass: 116.024 Da
• Topological Polar Surface Area: 23.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 50.500
• 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

Referenzen

1. Zifeng Yang, Lei Liu, Hongzhe An, Chenhao Li, Zhencai Zhang, Wenjuan Fang, Fei Xu, Suojiang Zhang.  (2020)  Cost-Effective Synthesis of High Molecular Weight Biobased Polycarbonate via Melt Polymerization of Isosorbide and Dimethyl Carbonate.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.0c00430]

2. Xianghe Meng, Lei Li, Qin Ye, Frederik van de Voort.  (2015)  Fourier Transform Infrared (FTIR) Spectroscopy as a Utilitarian Tool for the Routine Determination of Acidity in Ester-Based Oils.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:26321291] [10.1021/acs.jafc.5b02738]

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What does Reagent Grade mean?

Reagent Grade is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. Reagent Grade is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 139-02-6, the molecular formula is C6H5NaO, and the molecular weight is 116.09 g/mol. InChIKey NESLWCLHZZISNB-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.