Ethyl 4,4-difluorocyclohexanecarboxylate - ≥97% , CAS No.178312-47-5

CAS: 178312-47-5 Cat. No.: E138390 Fórmula: C₉H₁₄F₂O₂ Peso molecular: 192.21 Número EC: 674-534-3

GRADE & PURITY ≥97%

Synonyms

C9H14F2O2 | ethyl-4,4-difluorocyclohexane carboxylate | DTXSID20381287 | 4-carbethoxy-1,1-difluorocyclohexane | 4,4-difluorocyclohexanecarboxylic acid ethyl ester | 4,4-Difluoro-cyclohexanecarboxylic acid ethyl ester | AKOS005063515 | ethyl 4,4-difluorocy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

C9H14F2O2 | ethyl-4,4-difluorocyclohexane carboxylate | DTXSID20381287 | 4-carbethoxy-1,1-difluorocyclohexane | 4,4-difluorocyclohexanecarboxylic acid ethyl ester | 4,4-Difluoro-cyclohexanecarboxylic acid ethyl ester | AKOS005063515 | ethyl 4,4-difluorocy

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488193814

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193814

Sonrisas canónicas

CCOC(=O)C1CCC(CC1)(F)F

IUPAC Name

ethyl 4,4-difluorocyclohexane-1-carboxylate

InChIKey

HZZDWLBBNSDYQM-UHFFFAOYSA-N

INCHI

1S/C9H14F2O2/c1-2-13-8(12)7-3-5-9(10,11)6-4-7/h7H,2-6H2,1H3

Isómeros SMILES

CCOC(=O)C1CCC(CC1)(F)F

Peso molecular

192.21

Reaxy-Rn

10066230

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10066230&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Alkyl halides
      • Subclass Cyclohexyl halides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Alkyl halides
• Subclass: Cyclohexyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexyl halides
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexyl halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Carbonyl group - Alkyl fluoride - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen atom.
• 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 ebullición (°C): 84-86°/8 mmHg
• Peso molecular: 192.200 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 192.096 Da
• Monoisotopic Mass: 192.096 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

Preguntas frecuentes

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 178312-47-5, the molecular formula is C9H14F2O2, and the molecular weight is 192.21 g/mol. InChIKey HZZDWLBBNSDYQM-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.