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4-(trifluoromethoxy)cyclohexan-1-one - 97%, high purity , CAS No.2227206-47-3

COA

Grade & Purity:

≥97%

Cas Number: 2227206-47-3
Molecular Weight: 182.14
PubChem CID: 134819025

In stock

Item Number

C632250

Grouped product items
SKU	Size	Availability	Price
C632250-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$218.90
C632250-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$349.90
C632250-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$581.90
C632250-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,048.90

Basic Description

Synonyms	2227206-47-3 \| Cyclohexanone, 4-(trifluoromethoxy)- \| SB40968 \| PS-16412 \| 4-(trifluoromethoxy)cyclohexan-1-one \| AMY35828 \| DTXSID001289512 \| P18301
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Alkyl halides
    - Subclass Halomethanes

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Alkyl halides
Subclass	Halomethanes
Intermediate Tree Nodes	Not available
Direct Parent	Trihalomethanes
Alternative Parents	Cyclic ketones Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Trihalomethane - Cyclic ketone - Ketone - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Alkyl fluoride - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trihalomethanes. These are organic compounds in which exactly three of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
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	4-(trifluoromethoxy)cyclohexan-1-one
INCHI	InChI=1S/C7H9F3O2/c8-7(9,10)12-6-3-1-5(11)2-4-6/h6H,1-4H2
InChIKey	SHUOFWYUHNSVHO-UHFFFAOYSA-N
Smiles	C1CC(=O)CCC1OC(F)(F)F
Isomeric SMILES	C1CC(=O)CCC1OC(F)(F)F
Alternate CAS	2227206-47-3
PubChem CID	134819025
Molecular Weight	182.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	182.140 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	182.055 Da
Monoisotopic Mass	182.055 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	166.000
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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