Skip to the beginning of the images gallery

1,1,1,3,3,3-Hexabromoacetone - 97%, high purity , CAS No.23162-64-3

COA

Grade & Purity:

≥97%

Cas Number: 23162-64-3
Molecular Weight: 531.46
MDL number: MFCD11656171
PubChem CID: 13782678

In stock

Item Number

H468973

Grouped product items
SKU	Size	Availability	Price	Qty
H468973-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$891.90

Basic Description

Synonyms	J-015017 \| 1,1,1,3,3,3-Hexabromoacetone, 97% \| 1,1,1,3,3,3-hexabromopropan-2-one \| DTXSID00549348 \| Brom Pentabromaceton \| 2-Propanone, 1,1,1,3,3,3-hexabromo- \| hexabromoacetone \| IHAWQAMKUMLDIT-UHFFFAOYSA-N \| 1,1,1,3,3,3-HEXABROMOACETONE \| SCHEMBL985463
Specifications & Purity	≥97%

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	Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic 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	1,1,1,3,3,3-hexabromopropan-2-one
INCHI	InChI=1S/C3Br6O/c4-2(5,6)1(10)3(7,8)9
InChIKey	IHAWQAMKUMLDIT-UHFFFAOYSA-N
Smiles	C(=O)(C(Br)(Br)Br)C(Br)(Br)Br
Isomeric SMILES	C(=O)(C(Br)(Br)Br)C(Br)(Br)Br
WGK Germany	3
Molecular Weight	531.46
Reaxy-Rn	1773611
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1773611&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	531.500 g/mol
XLogP3	4.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	531.499 Da
Monoisotopic Mass	525.505 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	124.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration