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

CAS: 443-26-5 Cat. No.: E156449 Formule: C₉H₉FO₂ Poids moléculaire: 168.17 Numéro 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

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 488184044
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184044
• Sourires canoniques: 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
• Isomères SMILES: CCOC(=O)C1=CC=CC=C1F
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.493
• Point d'éclair (°C): 85 °C
• Point d'ébullition (°C): 217-220℃
• Poids moléculaire: 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

Foire aux questions

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.