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Basic Description
| 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 |
|---|---|
| Specifications & Purity | Reagent grade |
| Grade | Reagent Grade |
| Product Description |
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. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Phenoxides
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | 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 |
| Description | This compound belongs to the class of organic compounds known as phenoxides. These are salts or analogous metal derivatives of phenols. |
| External Descriptors | phenolate |
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Names and Identifiers
| IUPAC Name | sodium;phenoxide |
|---|---|
| INCHI | InChI=1S/C6H6O.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1 |
| InChIKey | NESLWCLHZZISNB-UHFFFAOYSA-M |
| Smiles | C1=CC=C(C=C1)[O-].[Na+] |
| Isomeric SMILES | C1=CC=C(C=C1)[O-].[Na+] |
| PubChem CID | 4445035 |
| UN Number | 2905 |
| Packing Group | III |
| Molecular Weight | 116.09 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Melt Point(°C) | >300°C |
|---|---|
| Molecular Weight | 116.090 g/mol |
| XLogP3 | |
| 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 |
Citations of This Product
| 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, 8 (27): (9968–9979). |
| 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, 63 (37): (8333–8338). |
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