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2-Bromocyclohexane-1，3-dione - ≥97%, high purity , CAS No.60060-44-8

COA

Grade & Purity:

≥97%

Cas Number: 60060-44-8
Molecular Weight: 191.03
PubChem CID: 2770476

In stock

Item Number

B700669

Grouped product items
SKU	Size	Availability	Price
B700669-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$31.90
B700669-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$74.90
B700669-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$293.90

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	Alpha-haloketones Cyclic ketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	1,3-diketone - Alpha-haloketone - Cyclic ketone - Ketone - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - 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	2-bromocyclohexane-1,3-dione
INCHI	InChI=1S/C6H7BrO2/c7-6-4(8)2-1-3-5(6)9/h6H,1-3H2
InChIKey	UBUJDMSDEQBNTG-UHFFFAOYSA-N
Smiles	C1CC(=O)C(C(=O)C1)Br
Isomeric SMILES	C1CC(=O)C(C(=O)C1)Br
PubChem CID	2770476
Molecular Weight	191.03

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	159-161°
Molecular Weight	191.020 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	189.963 Da
Monoisotopic Mass	189.963 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	137.000
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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