Name: 4,4-difluorocyclohexanecarbonitrile - ≥97% , CAS No.922728-21-0
SKU: D635148
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Klasse	Alkyl halides
Subclass	Cyclohexyl halides
Intermediate Tree Nodes	Not available
Direct Parent	Cyclohexyl halides
Alternative Parents	Nitriles Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclohexyl halide - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Alkyl fluoride - Aliphatic homomonocyclic compound
Beschreibung	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
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

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	145.150 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	145.07 Da
Monoisotopic Mass	145.07 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	158.000
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

Lösungsrechner

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Bewertungen

Kanonisches Lächeln	C1CC(CCC1C#N)(F)F
IUPAC Name	4,4-difluorocyclohexane-1-carbonitrile
InChIKey	IZGJQRIMRGAMTH-UHFFFAOYSA-N
INCHI	1S/C7H9F2N/c8-7(9)3-1-6(5-10)2-4-7/h6H,1-4H2
Isomere SMILES	C1CC(CCC1C#N)(F)F
Alternative CAS-Nummer	922728-21-0
PubChem CID	23582969
Molekulargewicht	145.15

4,4-difluorocyclohexanecarbonitrile - ≥97% , CAS No.922728-21-0

Specifications