Ethyl 2-Fluorobenzoate - ≥98%(GC) , CAS No.443-26-5

CAS: 443-26-5 Cat. No.: E156449 Fórmula: C₉H₉FO₂ Peso molecular: 168.17 Número CE: 207-134-0

GRADE & PURITY ≥98%(GC)

Synonyms

DTXSID6059996 | F0395 | AI3-11087 | InChI=1/C9H9FO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3 | FT-0612412 | Benzoic acid, 2-fluoro-, ethyl ester | NSC 67340 | fluoro-benzoic acid ethyl ester | AC7853 | Benzoic acid, o-fluoro-, ethyl ester | SCHEMBL2325

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID6059996 | F0395 | AI3-11087 | InChI=1/C9H9FO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3 | FT-0612412 | Benzoic acid, 2-fluoro-, ethyl ester | NSC 67340 | fluoro-benzoic acid ethyl ester | AC7853 | Benzoic acid, o-fluoro-, ethyl ester | SCHEMBL2325

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 488184044
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184044
• Sorrisos canónicos: CCOC(=O)C1=CC=CC=C1F
• IUPAC Name: ethyl 2-fluorobenzoate
• InChIKey: RUWPGPOBTHOLHF-UHFFFAOYSA-N
• INCHI: 1S/C9H9FO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
• SMILES isoméricas: CCOC(=O)C1=CC=CC=C1F
• Peso molecular: 168.17
• Reaxy-Rn: 2084296
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2084296&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: Benzoic acid esters
• Alternative Parents: 2-halobenzoic acids and derivatives Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Vinylogous halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

• Índice de refração: 1.493
• Ponto de inflamação (°C): 85 °C
• Ponto de ebulição (°C): 217-220℃
• Peso molecular: 168.160 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.059 Da
• Monoisotopic Mass: 168.059 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 159.000
• 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 443-26-5, the molecular formula is C9H9FO2, and the molecular weight is 168.17 g/mol. InChIKey RUWPGPOBTHOLHF-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.