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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl 4,4-difluorocyclohexanecarboxylate - ≥97% , CAS No.178312-47-5
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
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications 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
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 488193814 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488193814 Canonical Smiles 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 Isomeric SMILES CCOC(=O)C1CCC(CC1)(F)F Molecular Weight 192.21 Reaxy-Rn 10066230 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10066230&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organohalogen compounds Class 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 Description 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Boil Point(°C) 84-86°/8 mmHg Molecular Weight 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
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