α-Hydroxy Flurbiprofen - ≥97% , CAS No.61466-95-3

CAS: 61466-95-3 Cat. No.: H355020 Fórmula: C₁₅H₁₃FO₃ Peso molecular: 260.26 Número EC: 642-254-0

GRADE & PURITY ≥97%

Synonyms

(+)-2-(2-Fluoro-4-biphenylyl)-2-hydroxypropionic acid | (c) paragraph sign-Hydroxy Flurbiprofen | 5Y898P9RJ0 | A905924 | (+/-)-2-(2-FLUOROBIPHENYL-4-YL)-2-HYDROXYPROPANOIC ACID | Flurbiprofen EP Impurity C | E83797 | 2-(2-Fluoro-[1,1'-biphenyl]-4-yl)-2-hy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(+)-2-(2-Fluoro-4-biphenylyl)-2-hydroxypropionic acid | (c) paragraph sign-Hydroxy Flurbiprofen | 5Y898P9RJ0 | A905924 | (+/-)-2-(2-FLUOROBIPHENYL-4-YL)-2-HYDROXYPROPANOIC ACID | Flurbiprofen EP Impurity C | E83797 | 2-(2-Fluoro-[1,1'-biphenyl]-4-yl)-2-hy

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488200309
• Sonrisas canónicas: CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)(C(=O)O)O
• IUPAC Name: 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoic acid
• InChIKey: WZESXUMKHKBMLE-UHFFFAOYSA-N
• INCHI: 1S/C15H13FO3/c1-15(19,14(17)18)11-7-8-12(13(16)9-11)10-5-3-2-4-6-10/h2-9,19H,1H3,(H,17,18)
• Isómeros SMILES: CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)(C(=O)O)O
• Peso molecular: 260.26
• Reaxy-Rn: 37354722
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37354722&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Fluorobenzenes Aryl fluorides Alpha hydroxy acids and derivatives Tertiary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Hydroxy acid - Alpha-hydroxy acid - Tertiary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Alcohol - Organohalogen compound - Organofluoride - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Propiedades químicas y físicas

• Peso molecular: 260.260 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 260.085 Da
• Monoisotopic Mass: 260.085 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 327.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 61466-95-3, the molecular formula is C15H13FO3, and the molecular weight is 260.26 g/mol. InChIKey WZESXUMKHKBMLE-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.