Ethyl 3-(4-fluorophenyl)propanoate - ≥96% , CAS No.7116-38-3

CAS: 7116-38-3 Cat. No.: E194718 Formule: C₁₁H₁₃FO₂ Poids moléculaire: 196.22

GRADE & PURITY ≥96%

Synonyms

ethyl 3-(4-fluorophenyl)propionate | 3-(4-Fluorophenyl)propionic acid ethyl ester | 3-(4-FLUORO-PHENYL)-PROPIONIC ACID ETHYL ESTER | DTXSID70473505 | Ethyl3-(4-fluorophenyl)propanoate | AKOS006230265 | RFDMUTQYDLCBFL-UHFFFAOYSA-N | SCHEMBL1936446 | SY0433

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

ethyl 3-(4-fluorophenyl)propionate | 3-(4-Fluorophenyl)propionic acid ethyl ester | 3-(4-FLUORO-PHENYL)-PROPIONIC ACID ETHYL ESTER | DTXSID70473505 | Ethyl3-(4-fluorophenyl)propanoate | AKOS006230265 | RFDMUTQYDLCBFL-UHFFFAOYSA-N | SCHEMBL1936446 | SY0433

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

• Sourires canoniques: CCOC(=O)CCC1=CC=C(C=C1)F
• IUPAC Name: ethyl 3-(4-fluorophenyl)propanoate
• InChIKey: RFDMUTQYDLCBFL-UHFFFAOYSA-N
• INCHI: 1S/C11H13FO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2,5,8H2,1H3
• Isomères SMILES: CCOC(=O)CCC1=CC=C(C=C1)F
• Poids moléculaire: 196.22
• Reaxy-Rn: 2578334
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2578334&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Fatty acid esters Aryl fluorides Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fatty acid ester - Fluorobenzene - Aryl fluoride - Aryl halide - Fatty acyl - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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

• Poids moléculaire: 196.220 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 196.09 Da
• Monoisotopic Mass: 196.09 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 174.000
• 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?

This product is supplied at ≥96% 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 7116-38-3, the molecular formula is C11H13FO2, and the molecular weight is 196.22 g/mol. InChIKey RFDMUTQYDLCBFL-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.