Dimethyl 2-fluoroterephthalate - ≥96% , CAS No.5292-47-7

CAS: 5292-47-7 Cat. No.: D170809 Formula: C₁₀H₉FO₄ Peso molecolare: 212.17 Numero 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

Room temperature

Shipped In

Normal

Specifications

Sinonimi

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

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥96%

Nomi e identificatori

• Pubchem Sid: 488185684
• Sorrisi canonici: 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
• Isomeri SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)F
• WGK Germania: 3
• Peso molecolare: 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
    • Classe 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
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 81-86℃
• Peso molecolare: 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

Riferimenti

1. Ping Xue, Jiming Huang, Liguang Lin, Rong Li, Mi Tang, Zhengbang Wang.  (2021)  Zirconium-based metal-organic framework as an efficiently heterogeneous photocatalyst for oxidation of benzyl halides to aldehydes.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2021.111542]

2. Yu Gao, Siyu Liu, Xu Huang, Weiwen Lu, Jian Huang, Hua Zhang, Yong Zhang, Jinhua Wang, Shanshan Xi, Jun Liu, Tao Luo.  (2024)  Efficient and convenient strategy for recovering hexavalent chromium ions from wastewater by a novel photocatalytic iron-based metal-organic frameworks mesh.  NEW JOURNAL OF CHEMISTRY,      [PMID:] [10.1039/D3NJ06000D]

3. Pu Cheng, Xingkai Jia, Shixiang Liu, Hongwei Pan, Yinzhu Jiang, Xuan Zhang.  (2025)  Metal–organic framework-driven composite polymer electrolytes with high lithium mobility for high-safety and high-energy-density lithium batteries.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40987125] [10.1016/j.jcis.2025.139066]

Domande frequenti

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.