Diethyl 2-(4-fluorophenyl)malonate - ≥97% , CAS No.2965-90-4

CAS: 2965-90-4 Cat. No.: D183499 Formule: C₁₃H₁₅FO₄ Poids moléculaire: 254.3

GRADE & PURITY ≥97%

Synonyms

CAA96590 | Diethyl 4-fluorophenyl malonate | DIETHYL-4-FLUOROPHENYL MALONATE | F11122 | AKOS005256058 | DTXSID20382193 | A819994 | SCHEMBL1772316 | MFCD04039208 | AMY19328 | AS-46981 | QHPZGTQIXUSMBA-UHFFFAOYSA-N | FT-0732140 | BBL102877 | diethyl (4-fluo

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

CAA96590 | Diethyl 4-fluorophenyl malonate | DIETHYL-4-FLUOROPHENYL MALONATE | F11122 | AKOS005256058 | DTXSID20382193 | A819994 | SCHEMBL1772316 | MFCD04039208 | AMY19328 | AS-46981 | QHPZGTQIXUSMBA-UHFFFAOYSA-N | FT-0732140 | BBL102877 | diethyl (4-fluo

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: CCOC(=O)C(C1=CC=C(C=C1)F)C(=O)OCC
• IUPAC Name: diethyl 2-(4-fluorophenyl)propanedioate
• InChIKey: QHPZGTQIXUSMBA-UHFFFAOYSA-N
• INCHI: 1S/C13H15FO4/c1-3-17-12(15)11(13(16)18-4-2)9-5-7-10(14)8-6-9/h5-8,11H,3-4H2,1-2H3
• Isomères SMILES: CCOC(=O)C(C1=CC=C(C=C1)F)C(=O)OCC
• Poids moléculaire: 254.3
• Reaxy-Rn: 1983559
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1983559&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: Dicarboxylic acids and derivatives Aryl fluorides 1,3-dicarbonyl compounds Carboxylic acid esters Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Aryl halide - Aryl fluoride - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - 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: 254.250 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 254.095 Da
• Monoisotopic Mass: 254.095 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 267.000
• 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 ≥97% 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 2965-90-4, the molecular formula is C13H15FO4, and the molecular weight is 254.3 g/mol. InChIKey QHPZGTQIXUSMBA-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.