2-Phenoxynicotinic acid - ≥98% , CAS No.35620-71-4

CAS: 35620-71-4 Cat. No.: P420027 Formula: C₁₂H₉NO₃ Peso molecolare: 215.21 Numero EC: 252-647-5 PubChem CID: 123450

GRADE & PURITY ≥98%

Synonyms

MFCD00014629 | 2-Phenoxypyridine-3-carboxylic acid | EN300-18545 | SDCCGMLS-0023287.P002 | Z71177287 | CCG-234667 | SY004153 | 2-methyl-4-amino-6-hydroxy-pyrimidine | 2-Phenoxynicotinic acid, AldrichCPR | HMS2348O11 | SMR000070279 | Oprea1_256510 | DTXSID

Storage

Room temperature

Specifications

Sinonimi

MFCD00014629 | 2-Phenoxypyridine-3-carboxylic acid | EN300-18545 | SDCCGMLS-0023287.P002 | Z71177287 | CCG-234667 | SY004153 | 2-methyl-4-amino-6-hydroxy-pyrimidine | 2-Phenoxynicotinic acid, AldrichCPR | HMS2348O11 | SMR000070279 | Oprea1_256510 | DTXSID

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504756928
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756928
• Sorrisi canonici: C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)O
• IUPAC Name: 2-phenoxypyridine-3-carboxylic acid
• InChIKey: CQGAXJGXGLVFGJ-UHFFFAOYSA-N
• INCHI: 1S/C12H9NO3/c14-12(15)10-7-4-8-13-11(10)16-9-5-2-1-3-6-9/h1-8H,(H,14,15)
• Isomeri SMILES: C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)O
• PubChem CID: 123450
• Peso molecolare: 215.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Pyridinecarboxylic acids Phenoxy compounds Phenol ethers Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diaryl ether - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl 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

Obiettivi associati (umani)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 177.0-184.0°C
• Peso molecolare: 215.200 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 215.058 Da
• Monoisotopic Mass: 215.058 Da
• Topological Polar Surface Area: 59.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 238.000
• 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: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 35620-71-4, the molecular formula is C12H9NO3, and the molecular weight is 215.21 g/mol. InChIKey CQGAXJGXGLVFGJ-UHFFFAOYSA-N.

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.