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

CAS: 214917-68-7 Cat. No.: D124308 Formula: C₇H₄F₂O₃ Peso molecolare: 174.1 Beilstein Registry Number: 9325022 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 504762023
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762023
• Sorrisi canonici: 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)
• Isomeri SMILES: C1=C(C=C(C(=C1F)C(=O)O)F)O
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Punto di fusione (°C): 176°C
• Peso molecolare: 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

Domande frequenti

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.