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1-Cyclohexyl-2，2，2-trifluoroethan-1-one - ≥95%, high purity , CAS No.6302-04-1

COA

Grade & Purity:

≥95%

Cas Number: 6302-04-1
EC Number: 675-268-0
PubChem CID: 238415

In stock

Item Number

C696687

Grouped product items
SKU	Size	Availability	Price
C696687-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$190.90
C696687-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$346.90
C696687-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,213.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Alpha-haloketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Alpha-haloketones
Alternative Parents	Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Alpha-haloketone - 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 alpha-haloketones. These are organic compounds contaning a halogen atom attached to the alpha carbon atom relative to C=O group.
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	1-cyclohexyl-2,2,2-trifluoroethanone
INCHI	InChI=1S/C8H11F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6H,1-5H2
InChIKey	RPTSLLGEWZGTHJ-UHFFFAOYSA-N
Smiles	C1CCC(CC1)C(=O)C(F)(F)F
Isomeric SMILES	C1CCC(CC1)C(=O)C(F)(F)F
Alternate CAS	6302-04-1
PubChem CID	238415
NSC Number	42756

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	180.170 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	180.076 Da
Monoisotopic Mass	180.076 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	168.000
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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