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5-(trifluoromethyl)cyclohexane-1,3-dione - 97%, high purity , CAS No.124612-15-3

COA

Grade & Purity:

≥97%

Cas Number: 124612-15-3
Molecular Weight: 180.13
PubChem CID: 59226574

In stock

Item Number

C627707

Grouped product items
SKU	Size	Availability	Price
C627707-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$279.90
C627707-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$984.90
C627707-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,967.90

Basic Description

Synonyms	5-trifluoromethyl-1,3-cyclohexanedione \| SCHEMBL1711546 \| AS-51090 \| SY244815 \| AMY35000 \| SB15819 \| AKOS025211814 \| 1,3-Cyclohexanedione, 5-(trifluoromethyl)- \| EN300-706090 \| P11891 \| ZB0423 \| 5-(trifluoromethyl)-cyclohexane-1,3-dione \| 5-(trifluorometh
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 1,3-dicarbonyl compounds
        Level6 Beta-diketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	1,3-dicarbonyl compounds
Direct Parent	Beta-diketones
Alternative Parents	Cyclic ketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	1,3-diketone - Cyclic ketone - 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 beta-diketones. These are organic compounds containing two keto groups separated by a single carbon 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

Names and Identifiers

IUPAC Name	5-(trifluoromethyl)cyclohexane-1,3-dione
INCHI	InChI=1S/C7H7F3O2/c8-7(9,10)4-1-5(11)3-6(12)2-4/h4H,1-3H2
InChIKey	RECFBOFLRZHLSU-UHFFFAOYSA-N
Smiles	C1C(CC(=O)CC1=O)C(F)(F)F
Isomeric SMILES	C1C(CC(=O)CC1=O)C(F)(F)F
Alternate CAS	124612-15-3
PubChem CID	59226574
Molecular Weight	180.13

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	180.120 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	180.04 Da
Monoisotopic Mass	180.04 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	203.000
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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