2,6-Difluoro-4-hydroxybenzoic acid - ≥98%(GC) , CAS No.214917-68-7

CAS: 214917-68-7 Cat. No.: D124308 Fórmula: C₇H₄F₂O₃ Peso molecular: 174.1 Beilstein Registry Number: 9325022 Número CE: 630-270-0

GRADE & PURITY ≥98%(GC)

Synonyms

2,6-difluoro-4-Hydroxybenzoic Acid | 2,6-difluoro-4-hydroxy-benzoic Acid | EN300-80637 | NFIQGYBXSJQLSR-UHFFFAOYSA-N | BBL101992 | A20296 | SCHEMBL198786 | DTXSID20381126 | AKOS006228607 | AC-26039 | Benzoic acid, 2,6-difluoro-4-hydroxy- | PS-6867 | FT-06

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2,6-difluoro-4-Hydroxybenzoic Acid | 2,6-difluoro-4-hydroxy-benzoic Acid | EN300-80637 | NFIQGYBXSJQLSR-UHFFFAOYSA-N | BBL101992 | A20296 | SCHEMBL198786 | DTXSID20381126 | AKOS006228607 | AC-26039 | Benzoic acid, 2,6-difluoro-4-hydroxy- | PS-6867 | FT-06

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

504762023

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762023

Sorrisos canónicos

C1=C(C=C(C(=C1F)C(=O)O)F)O

IUPAC Name

2,6-difluoro-4-hydroxybenzoic acid

InChIKey

NFIQGYBXSJQLSR-UHFFFAOYSA-N

INCHI

1S/C7H4F2O3/c8-4-1-3(10)2-5(9)6(4)7(11)12/h1-2,10H,(H,11,12)

SMILES isoméricas

C1=C(C=C(C(=C1F)C(=O)O)F)O

Peso molecular

174.1

Beilstein

9325022

Reaxy-Rn

9325022

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9325022&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxybenzoic acid derivatives
• Alternative Parents: Halobenzoic acids 2-halobenzoic acids Benzoic acids M-fluorophenols Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Vinylogous halides Monocarboxylic acids and derivatives Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzoic acid - Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid - 3-fluorophenol - 3-halophenol - Benzoyl - 1-carboxy-2-haloaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Fluorobenzene - Phenol - Aryl halide - Aryl fluoride - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Ponto de fusão (°C): 176°C
• Peso molecular: 174.100 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 174.013 Da
• Monoisotopic Mass: 174.013 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 173.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 214917-68-7, the molecular formula is C7H4F2O3, and the molecular weight is 174.1 g/mol. InChIKey NFIQGYBXSJQLSR-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.