2-fluorotereftalato de dimetilo - ≥96% , CAS No.5292-47-7

CAS: 5292-47-7 Cat. No.: D170809 Fórmula: C₁₀H₉FO₄ Peso molecular: 212.17 Número EC: 226-135-7

GRADE & PURITY ≥96%

Synonyms

Dimethyl fluoroterephthalate | Dimethyl 2-fluoroterephthalate, 96% | DTXSID10200973 | 1,4-dimethyl 2-fluorobenzene-1,4-dicarboxylate | EINECS 226-135-7 | FT-0625056 | 2-fluorobenzene-1,4-dicarboxylic acid dimethyl ester;Dimethyl 2-fluorobenzene-1,4-dicarb

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

Dimethyl fluoroterephthalate | Dimethyl 2-fluoroterephthalate, 96% | DTXSID10200973 | 1,4-dimethyl 2-fluorobenzene-1,4-dicarboxylate | EINECS 226-135-7 | FT-0625056 | 2-fluorobenzene-1,4-dicarboxylic acid dimethyl ester;Dimethyl 2-fluorobenzene-1,4-dicarb

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

Pubchem Sid

488185684

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185684

Sonrisas canónicas

COC(=O)C1=CC(=C(C=C1)C(=O)OC)F

IUPAC Name

dimethyl 2-fluorobenzene-1,4-dicarboxylate

InChIKey

NCRFSIQSCLJDIC-UHFFFAOYSA-N

INCHI

1S/C10H9FO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3

Isómeros SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)F

WGK Alemania

3

Peso molecular

212.17

Reaxy-Rn

2584241

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2584241&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Phthalic acid and derivatives
          • Level6 Phthalate esters
            • Level7 p-Phthalate esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Phthalic acid and derivatives - Phthalate esters
• Direct Parent: p-Phthalate esters
• Alternative Parents: P-phthalic acid and derivatives Benzoic acid esters 3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzoyl derivatives Fluorobenzenes Dicarboxylic acids and derivatives Aryl fluorides Vinylogous halides Methyl esters Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - Vinylogous halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 81-86℃
• Peso molecular: 212.170 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 212.048 Da
• Monoisotopic Mass: 212.048 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 254.000
• 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

Preguntas frecuentes

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 5292-47-7, the molecular formula is C10H9FO4, and the molecular weight is 212.17 g/mol. InChIKey NCRFSIQSCLJDIC-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.