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2-(Trifluoromethyl)cyclohexanone , CAS No.56734-74-8

COA

Cas Number: 56734-74-8
Molecular Weight: 166.14
PubChem CID: 2777488

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Item Number

T171022

Grouped product items
SKU	Size	Availability	Price	Qty
T171022-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$138.90
T171022-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$344.90

Discover 2-(Trifluoromethyl)cyclohexanone by Aladdin Scientific in for only $138.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-(trifluoromethyl)cyclohexanone \| 56734-74-8 \| 2-(trifluoromethyl)cyclohexan-1-one \| MFCD00102125 \| 2-Trifluoromethylcyclohexanone \| trifluoromethylcyclohexanone \| SCHEMBL2105778 \| DTXSID80380534 \| AMY42362 \| BBL101426 \| STL555222 \| 2-(trifluoromethyl)-cyclohexan-1-one \| AKOS00
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Cyclic ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Cyclic ketones
Alternative Parents	Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclic ketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
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

Names and Identifiers

IUPAC Name	2-(trifluoromethyl)cyclohexan-1-one
INCHI	InChI=1S/C7H9F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5H,1-4H2
InChIKey	RZSQHJQIBOWYSQ-UHFFFAOYSA-N
Smiles	C1CCC(=O)C(C1)C(F)(F)F
Isomeric SMILES	C1CCC(=O)C(C1)C(F)(F)F
PubChem CID	2777488
Molecular Weight	166.14

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	166.140 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	166.061 Da
Monoisotopic Mass	166.061 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	162.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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