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1-Adamantyl bromomethyl ketone - 97%, high purity , CAS No.5122-82-7

2 Citations

COA

Grade & Purity:

≥97%

Cas Number: 5122-82-7
Molecular Weight: 257.17
EC Number: 225-860-6
MDL number: MFCD00074740
PubChem CID: 197820
PubChem SID: 488188582

In stock

Item Number

A134989

Grouped product items
SKU	Size	Availability	Price
A134989-1g	1g	5	$44.90
A134989-5g	5g	1	$171.90
A134989-25g	25g	3	$773.90

Basic Description

Synonyms	SY081456 \| EN300-01848 \| SCHEMBL354359 \| FT-0605462 \| 1-Adamantyl bromomethyl ketone \| (+/-)-1,2,2,2-Tetrachloroethylchloroformate \| adamantan-1-yl bromomethyl ketone \| F1928-0001 \| Bromomethyl adamantyl ketone \| 1-((3r,5r,7r)-adamantan-1-yl)-2-bromoethan
Specifications & Purity	≥97%
Shipped In	Normal
Product Description	1-Adamantyl bromomethyl ketone may be used in chemical synthesis studies.

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 homopolycyclic compounds
Substituents	Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic homopolycyclic 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

Pubchem Sid	488188582
IUPAC Name	1-(1-adamantyl)-2-bromoethanone
INCHI	InChI=1S/C12H17BrO/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2
InChIKey	KWCDIRFSULAMOC-UHFFFAOYSA-N
Smiles	C1C2CC3CC1CC(C2)(C3)C(=O)CBr
Isomeric SMILES	C1C2CC3CC1CC(C2)(C3)C(=O)CBr
WGK Germany	3
Molecular Weight	257.17
Reaxy-Rn	1872228
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1872228&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
B2304252	Certificate of Analysis	Nov 13, 2024	A134989
B2304166	Certificate of Analysis	Nov 13, 2024	A134989
G2109119	Certificate of Analysis	Apr 18, 2023	A134989
G2109120	Certificate of Analysis	Apr 18, 2023	A134989
B2304167	Certificate of Analysis	Oct 17, 2022	A134989
B2304309	Certificate of Analysis	Oct 17, 2022	A134989

Chemical and Physical Properties

Melt Point(°C)	76-79 °C (lit.)
Molecular Weight	257.170 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	256.046 Da
Monoisotopic Mass	256.046 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	230.000
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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