Cas no 458566-84-2 (4,4-difluorocyclohexanamine)

4,4-difluorocyclohexanamine structure
4,4-difluorocyclohexanamine structure
Product Name:4,4-difluorocyclohexanamine
CAS No:458566-84-2
MF:C6H11F2N
MW:135.15504860878
MDL:MFCD06409984
CID:1006547
PubChem ID:3847030
Update Time:2025-11-01

4,4-difluorocyclohexanamine Chemical and Physical Properties

Names and Identifiers

    • 4,4-Difluorocyclohexanamine
    • 4,4-difluorocyclohexan-1-amine
    • 4,4-Difluorocyclohexylamine
    • (4,4-Difluorocyclohexyl)amine
    • 4,4-DIFLUOROCYCLOHEXYLAMINE HYDROCHLORIDE
    • 4,4-difluorocyclohexanamine hydrochloride
    • 4,4-difluorocyclohexan-1-amine hydrochloride
    • 4,4-difluoro-cyclohexylamine hydrochloride
    • 4,4-Difluorocyclohexylamine HCl
    • 1-Amino-4,4-difluorocyclohexane hydrochloride
    • Cyclohexanamine, 4,4-difluoro-, hydrochloride
    • 4,4-Difluorocyclohexan-1-amine HCl
    • PubChem16934
    • C6H11F2N.ClH
    • 4,4-difluoro-cyclohexylamine hcl
    • QYJPFTAKVBDDPD-UHFFFAOYSA-N
    • 4,4-Difluorocycloh
    • 4,4-difluorocyclohexan-1-amine;hydrochloride
    • AMY1249
    • 4,4-Difluorocyclohexylamine, HCl
    • HT686
    • BCP34613
    • A
    • 4,4-Difluoro-cyclohexylamine
    • SB19900
    • 4,4-difluorocyclohexanamine, AldrichCPR
    • SCHEMBL359571
    • 4,4-difluorocyclohexyl amine
    • SY029834
    • AM84937
    • MFCD06409984
    • CHEMBL4527203
    • CS-0054630
    • A852176
    • 458566-84-2
    • F1907-0808
    • P10355
    • EN300-53464
    • DB-070690
    • AKOS005145883
    • BCP24484
    • PB20163
    • DTXSID40397244
    • 4, 4-Difluoro-cyclohexylamine
    • BS-13105
    • CYCLOHEXANAMINE, 4,4-DIFLUORO-
    • 4,4-difluorocyclohexanamine
    • MDL: MFCD06409984
    • Inchi: 1S/C6H11F2N/c7-6(8)3-1-5(9)2-4-6/h5H,1-4,9H2
    • InChI Key: MQOFXVWAFFJFJH-UHFFFAOYSA-N
    • SMILES: FC1(CCC(CC1)N)F

Computed Properties

  • Exact Mass: 135.08600
  • Monoisotopic Mass: 135.08595568g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 93.2
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26
  • XLogP3: 1.2

Experimental Properties

  • Density: 1.08
  • Boiling Point: 141 oC
  • Flash Point: 40 oC
  • PSA: 26.02000
  • LogP: 2.22330

4,4-difluorocyclohexanamine Security Information

  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn

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Additional information on 4,4-difluorocyclohexanamine

Comprehensive Guide to 4,4-Difluorocyclohexanamine (CAS No. 458566-84-2): Properties, Applications, and Industry Insights

4,4-Difluorocyclohexanamine (CAS No. 458566-84-2) is a fluorinated cyclohexylamine derivative that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural and electronic properties. The incorporation of fluorine atoms at the 4-position of the cyclohexane ring enhances its metabolic stability and lipophilicity, making it a valuable intermediate in drug discovery. Researchers frequently search for "4,4-difluorocyclohexanamine synthesis" or "CAS 458566-84-2 applications," reflecting its growing relevance in organic chemistry and material science.

One of the key advantages of 4,4-Difluorocyclohexanamine lies in its role as a building block for bioactive molecules. Its rigid cyclohexane backbone and fluorine substitution contribute to improved binding affinity in target proteins, a feature highly sought after in the development of kinase inhibitors and GPCR modulators. Recent trends in Google searches, such as "fluorinated amines in drug design" or "458566-84-2 price," highlight the compound's commercial and scientific demand. The compound's low toxicity profile and high purity requirements further align with the industry's shift toward sustainable and precision chemistry.

From a synthetic perspective, 4,4-Difluorocyclohexanamine is typically produced via catalytic hydrogenation of corresponding nitro or imine precursors, followed by fluorination steps. Queries like "how to purify 4,4-difluorocyclohexanamine" or "458566-84-2 NMR data" are common among chemists optimizing protocols. The compound's melting point (35–38°C) and solubility in organic solvents make it versatile for reactions ranging from amide couplings to reductive aminations. Notably, its stability under acidic conditions has spurred interest in peptide mimetics and prodrug formulations.

Beyond pharmaceuticals, 4,4-Difluorocyclohexanamine finds niche applications in advanced material science. Its ability to act as a hydrogen bond acceptor and conformational lock has been explored in liquid crystal displays (LCDs) and polymer additives. Searches for "fluorocyclohexylamine derivatives" or "CAS 458566-84-2 suppliers" often correlate with innovations in electronic materials. Environmental considerations also drive interest, as fluorinated amines like this exhibit lower bioaccumulation potential compared to perfluorinated alternatives—a topic gaining traction in "green chemistry" forums.

Quality control of CAS No. 458566-84-2 remains critical, with HPLC and GC-MS being standard analytical techniques. FAQs such as "is 4,4-difluorocyclohexanamine hygroscopic" or "458566-84-2 shelf life" underscore the need for proper storage (under inert gas) to prevent degradation. The compound's chiral purity is another focal point, especially for asymmetric synthesis applications where enantioselective routes are paramount. Recent patents leveraging its stereochemical versatility in antiviral agents further validate its industrial importance.

In conclusion, 4,4-Difluorocyclohexanamine (CAS No. 458566-84-2) exemplifies the intersection of fluorine chemistry and functional group manipulation. Its dual utility in life sciences and materials engineering—coupled with rising search terms like "buy 4,4-difluorocyclohexanamine" and "fluorinated amine safety"—positions it as a compound of enduring relevance. Future research may unlock novel applications in catalysis or supramolecular chemistry, reinforcing its status as a multifaceted chemical entity.

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