Ethyl 2-fluoro-6-methylbenzoate - ≥95% , CAS No.90259-30-6

CAS: 90259-30-6 Cat. No.: E195725 Fórmula: C₁₀H₁₁FO₂ Peso molecular: 182.19

GRADE & PURITY ≥95%

Synonyms

Ethyl 2-fluoro-6-methylbenzoate|90259-30-6|ETHYL2-FLUORO-6-METHYLBENZOATE|C10H11FO2|BENZOIC ACID,2-FLUORO-6-METHYL-,ETHYL ESTER|DTXSID20673275|MFCD11870183|AKOS022176945|DS-8067|FT-0737155|S10861|A860867

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Ethyl 2-fluoro-6-methylbenzoate | 90259-30-6 | ETHYL2-FLUORO-6-METHYLBENZOATE | C10H11FO2 | BENZOIC ACID,2-FLUORO-6-METHYL-,ETHYL ESTER | DTXSID20673275 | MFCD11870183 | AKOS022176945 | DS-8067 | FT-0737155 | S10861 | A860867

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

CCOC(=O)C1=C(C=CC=C1F)C

IUPAC Name

ethyl 2-fluoro-6-methylbenzoate

InChIKey

CVCGEHIXXHWFDO-UHFFFAOYSA-N

INCHI

1S/C10H11FO2/c1-3-13-10(12)9-7(2)5-4-6-8(9)11/h4-6H,3H2,1-2H3

SMILES isoméricas

CCOC(=O)C1=C(C=CC=C1F)C

Peso molecular

182.19

Reaxy-Rn

36060196

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36060196&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 Toluenes Fluorobenzenes Aryl fluorides Vinylogous halides Carboxylic acid esters 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 - Toluene - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Vinylogous halide - Carboxylic acid ester - 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

• Peso molecular: 182.190 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 182.074 Da
• Monoisotopic Mass: 182.074 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 182.000
• 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

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 90259-30-6, the molecular formula is C10H11FO2, and the molecular weight is 182.19 g/mol. InChIKey CVCGEHIXXHWFDO-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.