p-hydroxybenzoic acid monosodium salt - ≥98% , CAS No.114-63-6

CAS: 114-63-6 Cat. No.: H105643 Peso molecular: 160.1 Beilstein Registry Number: 4163553 Número EC: 204-051-1

GRADE & PURITY ≥98%

Synonyms

C7H5NaO3 | Benzoic acid, 4-hydroxy-, sodium salt (1:1) | H0221 | ISOMETHEPTENE MUCATE [VANDF] | AKOS022190835 | AS-12107 | p-Hydroxybenzoic acid sodium salt | Benzenesulfonic acid--water (1/1) | Q27194146 | DTXSID3059426 | 4-Hydroxybenzoic acid sodium sal

Storage

Protected from light,Desiccated,Room temperature

Shipped In

Normal

Specifications

Sinónimos

C7H5NaO3 | Benzoic acid, 4-hydroxy-, sodium salt (1:1) | H0221 | ISOMETHEPTENE MUCATE [VANDF] | AKOS022190835 | AS-12107 | p-Hydroxybenzoic acid sodium salt | Benzenesulfonic acid--water (1/1) | Q27194146 | DTXSID3059426 | 4-Hydroxybenzoic acid sodium sal

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Desiccated, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488199342
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199342
• Sonrisas canónicas: C1=CC(=CC=C1C(=O)[O-])O.[Na+]
• IUPAC Name: sodium;4-hydroxybenzoate
• InChIKey: ZLVSYODPTJZFMK-UHFFFAOYSA-M
• INCHI: 1S/C7H6O3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
• Isómeros SMILES: C1=CC(=CC=C1C(=O)[O-])O.[Na+]
• WGK Alemania: 2
• RTECS: DH2900000
• Peso molecular: 160.1
• Beilstein: 4163553
• Reaxy-Rn: 4163553
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4163553&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxybenzoic acid derivatives
• Alternative Parents: Benzoic acids Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzoic acid - Benzoic acid - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic sodium salt - Organic salt - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
• 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

Objetivos asociados (humanos)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive.
• Punto de fusión (°C): 300°C
• Peso molecular: 160.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 160.014 Da
• Monoisotopic Mass: 160.014 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• 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

Referencias

1. Ziqi Zhou, Qiang Zeng, Gaoyuan Li, Dafu Hu, Qingyin Xia, Hailiang Dong.  (2021)  Oxidative degradation of commingled trichloroethylene and 1,4-dioxane by hydroxyl radicals produced upon oxygenation of a reduced clay mineral.  CHEMOSPHERE,      [PMID:34914951] [10.1016/j.chemosphere.2021.133265]

2. Yuanji Gao, Bing Xia, Jie Liu, Lisheng Ding, Bangjing Li, Yan Zhou.  (2014)  Reversible tuning of the wettability on a silver mesodendritic surface by the formation and disruption of lipid-like bilayers.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2014.12.150]